SCHEMBL300482

SCHEMBL300482

C[C@@H]1O[C@@]1(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.44
CYP2C9 P11712 8/20 0.44
CYP2C19 P33261 6/20 0.44
CYP19A1 P11511 5/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 2/20 0.44
ADRA1A P35348 1/20 0.44
CYP51A1 Q16850 1/20 0.44
THRB P10828 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP17A1 P05093 1/20 0.38
PTGS2 P35354 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP8B1 Q9UNU6 1/20 0.38
MAPK1 P28482 2/20 0.37
CYP2B6 P20813 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31454781 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3949948 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3264782 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL8812022 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL2346412 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL17777817 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL7989762 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL8574154 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3955770 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL29858099 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 199 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915981-B1 METHOD FOR PREPARATION OF EFINACONAZOLE IN IONIC LIQUID MEDIUM DAEBONG LS CO LTD (KR) 2024-04-03 EP claimed
US-20220127245-A1 METHOD FOR PREPARATION OF EFINACONAZOLE IN IONIC LIQUID MEDIUM DAEBONG LS CO., LTD. (KR) 2022-04-28 US claimed
EP-3915981-A1 METHOD FOR PREPARATION OF EFINACONAZOLE IN IONIC LIQUID MEDIUM Daebong LS Co., Ltd. (KR) 2021-12-01 EP claimed
CN-113330006-A Novel preparation method of efinaconazole by taking ionic liquid as medium 大峰LS株式会社 2021-08-31 CN claimed
WO-2021060948-A1 METHOD FOR PREPARATION OF EFINACONAZOLE IN IONIC LIQUID MEDIUM 대봉엘에스 주식회사 2021-04-01 WO claimed
CN-106918672-B Method for measuring related substances in efinaconazole raw material medicine and preparation thereof by using HPLC 中美华世通生物医药科技(武汉)有限公司 2021-02-09 CN claimed
CN-107759565-B Preparation method of 1-triazole-2-butanol derivative 苏州旺山旺水生物医药有限公司 2020-10-23 CN claimed
US-10626102-B2 Process for the synthesis of efinaconazol PROCOS S.P.A. (IT) 2020-04-21 US claimed
US-10479776-B2 Process for the preparation of Efinaconazole LUPIN LIMITED (IN) 2019-11-19 US claimed
EP-3397628-B1 PROCESS FOR THE SYNTHESIS OF EFINACONAZOL PROCOS SPA (IT) 2019-09-18 EP claimed
EP-2612859-B1 METHOD FOR PRODUCING 1-TRIAZOLE-2-BUTANOL DERIVATIVE KAKEN PHARMA CO LTD (JP) 2015-09-30 EP claimed
US-8871942-B2 Process for producing 1-triazole-2-butanol derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US claimed
EP-2612859-A1 METHOD FOR PRODUCING 1-TRIAZOLE-2-BUTANOL DERIVATIVE Kaken Pharmaceutical Co., Ltd. (JP) 2013-07-10 EP claimed
US-20130150586-A1 PROCESS FOR PRODUCING 1-TRIAZOLE-2-BUTANOL DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2013-06-13 US claimed
EP-1282084-B9 METHOD FOR PREPARING PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2005-03-02 EP claimed
US-6653475-B2 Coupling a compound with pyrimidone intermediate J. URIACH & CIA, S.A. (ES) 2003-11-25 US claimed
EP-1282084-B1 METHOD FOR PREPARING PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2003-09-17 EP claimed
US-20030064986-A1 Method for preparing pyrimidone derivatives with antifungal activity ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2003-04-03 US claimed
EP-1282084-A2 METHOD FOR PREPARING PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY J. Uriach & Cia. S.A. (ES) 2003-02-05 EP claimed
EP-1231210-A2 Azole antifungal agents, processes for the preparation thereof, and intermediates Eisai Co., Ltd. (JP) 2002-08-14 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030064986-A1 Method for preparing pyrimidone derivatives with antifungal activity TYMP, UMPS, DPM1 CYP3A4 93/4885CYP2C9 128/4885CYP2C19 25/4885
US-20220127245-A1 METHOD FOR PREPARATION OF EFINACONAZOLE IN IONIC LIQUID MEDIUM CYP3A5, NEFM, IL5 CYP3A4 5/4885CYP2C9 24/4885CYP2C19 17/4885
US-10626102-B2 Process for the synthesis of efinaconazol CYP3A4, EFHD2, CYP4F3 CYP3A4 1/4885CYP2C9 20/4885CYP2C19 7/4885
US-20130150586-A1 PROCESS FOR PRODUCING 1-TRIAZOLE-2-BUTANOL DERIVATIVES CACNA1I, MED1, ADH1A CYP3A4 304/4885CYP2C9 715/4885CYP2C19 1130/4885
US-10479776-B2 Process for the preparation of Efinaconazole CYP3A4, ERG28, CYP4Z1 CYP3A4 1/4885CYP2C9 47/4885CYP2C19 31/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.