Difenoconazole

Difenoconazole

SCHEMBL3015472

CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1.C[C@H]1CO[C@](Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.68
THRB P10828 1/20 0.68
LMNA P02545 3/20 0.55
CYP51A1 Q16850 3/20 0.55
HSP90AA1 P07900 3/20 0.55
FYN P06241 2/20 0.55
NR1I2 O75469 2/20 0.55
CHRM2 P08172 2/20 0.55
ADRA2A P08913 2/20 0.55
TSHR P16473 2/20 0.55
ADRA2B P18089 2/20 0.55
SLC6A2 P23975 2/20 0.55
HTR2A P28223 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KCNH2 Q12809 2/20 0.55
PGR P06401 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55

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
Difenoconazole SCHEMBL29369735 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1
Difenoconazole SCHEMBL29366085 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1
Difenoconazole SCHEMBL15932554 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1
Difenoconazole SCHEMBL29393627 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1
Difenoconazole SCHEMBL29391271 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1
Difenoconazole SCHEMBL22125 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1
Difenoconazole SCHEMBL22126 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1
Difenoconazole SCHEMBL15932941 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1
Difenoconazole SCHEMBL20654517 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1
Difenoconazole SCHEMBL3224770 1.00 CYP3A4 (0.68) CYP3A4THRBLMNACYP51A1HSP90AA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305161-A1 COMBINATIONS OF FUNGICIDAL AZOLES AND PYRION COMPOUNDS BOSSELAERS JAN PETER HENDRIK 2010-12-02 US disclosed
EP-2224814-A2 COMBINATIONS OF FUNGICIDAL AZOLES AND PYRION COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2010-09-08 EP disclosed
US-7662748-B2 Such as azaconazole, bromuconazole, and N,N',N'-tris(2-hydroxyethyl)-N-cocoalkyl-1,3-diamino-propane; kits; for protection of crops, plants, fruits, seeds, wood products, thatch, biodegradable material and textiles JANSSEN PHARMACEUTICA, N.V. (BE) 2010-02-16 US disclosed
WO-2009068606-A2 COMBINATIONS OF FUNGICIDAL TRIAZOLES AND PYRION COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-06-04 WO disclosed
US-20050080089-A1 Formulations comprising triazoles and alkoxylated amines AKZO NOBEL CHEMICALS BV (NL) 2005-04-14 US disclosed
EP-1473996-A1 FORMULATIONS COMPRISING TRIAZOLES AND ALKOXYLATED AMINES JANSSEN PHARMACEUTICA N.V. (BE) 2004-11-10 EP disclosed
WO-2003065807-A1 FORMULATIONS COMPRISING TRIAZOLES AND ALKOXYLATED AMINES JANSSEN PHARMACEUTICA N.V. (BE) 2003-08-14 WO disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20050080089-A1 Formulations comprising triazoles and alkoxylated amines ALKBH3, TYR, NAT1 CYP3A4 100/4885THRB 4330/4885LMNA 2304/4885
US-20100305161-A1 COMBINATIONS OF FUNGICIDAL AZOLES AND PYRION COMPOUNDS PPOX, PNPO, CYP3A43 CYP3A4 7/4885THRB 2324/4885LMNA 4745/4885

“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.