SCHEMBL8800830

SCHEMBL8800830

CCCCCc1[nH]cc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
PLK1 P53350 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
FAAH O00519 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL9277961 0.74 GPR84 (0.41) HSD11B1PLK1PLK3FAAHGPR84
SCHEMBL8802342 0.71
SCHEMBL8807946 0.69 PTGS2 (0.35) HSD11B1GPR84
SCHEMBL9267234 0.68 S1PR1 (0.37) HSD11B1PLK1PLK3FAAH
SCHEMBL18374839 0.66 TYR (0.44) FAAH
SCHEMBL22864099 0.66 LIPG (0.42) HSD11B1PLK1PLK3
SCHEMBL9287050 0.64 GPR84 (0.34) GPR84
SCHEMBL18374703 0.64 TYR (0.47) FAAH
SCHEMBL20734526 0.64 HSD11B1 (0.34) HSD11B1PLK1PLK3FAAHGPR84
SCHEMBL28234439 0.63 GPR84 (0.37) GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP claimed
US-5281719-A Reacting a methyl N-((trimethylsilyl)methyl)thiobenzimidate with 2,3-dichloro-hexafluorobutene to give a 2-aryl-3,4-bis-(trifluoromethyl)pyrrole and reacting this with a halogenating compound AMERICAN CYANAMID COMPANY (US) 1994-01-25 US claimed
EP-0481182-A1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP claimed
EP-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP disclosed
WO-1995004038-A1 SUBSTITUTED 2-ARYL-TRIFLUOROMETHYLPYRROLES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-02-09 WO disclosed
US-5281719-A Reacting a methyl N-((trimethylsilyl)methyl)thiobenzimidate with 2,3-dichloro-hexafluorobutene to give a 2-aryl-3,4-bis-(trifluoromethyl)pyrrole and reacting this with a halogenating compound AMERICAN CYANAMID COMPANY (US) 1994-01-25 US disclosed
US-5229524-A Bis-and tris (trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-20 US disclosed
US-5157047-A Miticides AMERICAN CYANAMID COMPANY (US) 1992-10-20 US disclosed
EP-0481182-A1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP disclosed