SCHEMBL9783539

SCHEMBL9783539

CB(c1ccccc1)c1ccc(C)cc1.CC(C)CCCc1cnc[nH]1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 13/20 0.60
▸ HRH3 Q9Y5N1 4/20 0.47
▸ KCNH2 Q12809 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL9783834 0.94 CYP19A1 (0.56) CYP19A1HRH3KCNH2HRH4
SCHEMBL9783546 0.79 CYP19A1 (0.57) CYP19A1HRH3HRH4
SCHEMBL9783882 0.79 CYP19A1 (0.45) CYP19A1HRH3HRH4
SCHEMBL9783494 0.79 CYP19A1 (0.47) CYP19A1HRH3
SCHEMBL9783848 0.76 CYP19A1 (0.60) CYP19A1HRH3KCNH2HRH4
SCHEMBL9783735 0.74 CYP19A1 (0.44) CYP19A1HRH3KCNH2HRH4
SCHEMBL9808506 0.73 CYP19A1 (0.53) CYP19A1HRH3HRH4
SCHEMBL12134482 0.73 HRH3 (0.65) HRH3HRH4
SCHEMBL9783360 0.72 CYP19A1 (0.46) CYP19A1HRH3KCNH2HRH4
SCHEMBL14569277 0.69 CYP19A1 (0.57) CYP19A1HRH3HRH4

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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