SCHEMBL115659

SCHEMBL115659

O=C(O)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 3/20 0.65
HPGD P15428 3/20 0.65
HSD17B10 Q99714 2/20 0.65
USP2 O75604 1/20 0.56
CYP2C19 P33261 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TSHR P16473 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CES2 O00748 2/20 0.53
MAPT P10636 2/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
ESR2 Q92731 1/20 0.52
PTPN1 P18031 1/20 0.52
XDH P47989 1/20 0.51

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
SCHEMBL27866247 0.98 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10USP2
Acetaldehyde SCHEMBL3723762 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL27348275 0.85 KMT2A (0.56) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL30954309 0.85 KMT2A (0.56) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL130628 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL460066 0.83 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL1447588 0.82 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL29540816 0.82 MAPT (0.57) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL1451777 0.82 MAPT (0.57) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL2960943 0.82 CES2 (0.52) ALDH1A1KDM4EHPGDHSD17B10USP2

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 1076 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613346-A Method for preparing 5-bromopyrimidine 上海沃缨生物科技有限公司 2025-03-14 CN claimed
CN-118619869-B Halogen-containing lithium ion eutectic crystal and preparation method and application thereof 佛山大学 2024-11-22 CN claimed
CN-118619869-A Halogen-containing lithium ion eutectic crystal and preparation method and application thereof 佛山大学 2024-09-10 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-118059901-A Preparation method and application of organic acid modified aluminum metaphosphate supported nickel-palladium catalyst 中国矿业大学 2024-05-24 CN claimed
CN-114276305-B Trisubstituted phenyl-1, 2, 4-triazole derivative, preparation method thereof and application thereof in treatment of neuronal injury 中山大学 2023-11-17 CN claimed
CN-114591254-B 3, 5-disubstituted phenyl-1, 2, 4-triazole derivative and preparation method and application thereof 中山大学 2023-10-13 CN claimed
CN-114409605-B Trifluoromethyl-containing 1,2, 4-triazole derivative and preparation method and application thereof 上海交通大学医学院附属瑞金医院 2023-05-16 CN claimed
CN-114380756-B Nanoparticle compound of trifluoromethyl-containing 1,2, 4-triazole derivative and preparation method and application thereof 上海交通大学医学院附属瑞金医院 2023-05-16 CN claimed
CN-218501978-U High-pressure reaction kettle for preparing 4-trifluoromethyl salicylic acid 青岛和兴精细化学有限公司 2023-02-21 CN claimed
WO-2010043412-A1 CO-CRYSTALS OF TRAMADOL AND NSAIDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-22 WO claimed
EP-2177215-A1 Co-crystals of tramadol and NSAIDs Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-04-21 EP claimed
EP-2123626-A1 Co-crystals of duloxetine and co-crystal formers for the treatment of pain Laboratorios del Dr. Esteve S.A. (ES) 2009-11-25 EP claimed
WO-2009109401-A1 SALTS OF MEMANTINE AND COX-INHIBITORS AND THEIR CRYSTALFORM IN THE TREATMENT OF PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-09-11 WO claimed
EP-2098500-A1 Salts of menantine and cox-inhibitors and their crystal form in the treatment of pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP claimed
EP-1478229-B1 IMPROVED SYNTHESIS OF POLYANHYRIDES UNIV RUTGERS (US) 2009-03-11 EP claimed
US-7411031-B2 Synthesis of polyanhydrides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-08-12 US claimed
US-7268148-B2 Compositions and methods for use against acne-induced inflammation and dermal matrix-degrading enzymes REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-09-11 US claimed
WO-2004098510-A2 CYSTIC FIBROSIS THERAPY BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2004-11-18 WO claimed
WO-1996005170-A1 4-TRIFLUOROMETHYLBENZAMIDES AND THEIR USE AS PESTICIDES IN PLANT AND MATERIALS PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1996-02-22 WO claimed