SCHEMBL9783388

SCHEMBL9783388

BCC(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.CCc1cnc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.43
▸ PNMT P11086 1/20 0.40

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
SCHEMBL9783593 0.78 PNMT (0.39) PNMT
SCHEMBL2626796 0.78 HRH3 (0.49) CYP19A1HRH3PNMT
SCHEMBL9783377 0.76 HRH3 (0.45) CYP19A1HRH3
SCHEMBL9783383 0.71 HRH1 (0.39) PNMT
SCHEMBL19593126 0.70 PNMT (0.54) PNMT
SCHEMBL2741610 0.69 LMNA (0.49) HRH3
SCHEMBL9783740 0.69 CYP19A1 (0.68) CYP19A1HRH3
SCHEMBL2741585 0.69 TAAR1 (0.59) CYP19A1HRH3
Ammonia Solution, Strong SCHEMBL6000923 0.68 PNMT (0.53) PNMT
SCHEMBL9783364 0.68 CYP19A1 (0.58) CYP19A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051514-A Complexing boranes and imidazoles CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-09-24 — — US disclosed
EP-0432987-A2 Fungicidal organoborane imidazole compounds and intermediates therefor CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-06-19 — — EP disclosed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 — — US disclosed
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