SCHEMBL28175129

SCHEMBL28175129

C=CC(CC)n1ccnc1.F[B-](F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 15/20 0.40
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ CYP19A1 P11511 2/20 0.34

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
SCHEMBL27677508 0.93 CYP17A1 (0.41) CYP17A1CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL28775270 0.91 CYP17A1 (0.40) CYP17A1CYP11B1CYP11B2CYP19A1
Bromide SCHEMBL27754534 0.91 CYP17A1 (0.40) CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL25440098 0.87 CYP17A1 (0.43) CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL27677519 0.84 CYP17A1 (0.45) CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL29250255 0.82 CYP17A1 (0.40) CYP17A1
SCHEMBL28569993 0.82 CYP17A1 (0.40) CYP17A1
SCHEMBL28426825 0.82 CYP17A1 (0.40) CYP17A1
SCHEMBL28670320 0.82 CYP17A1 (0.40) CYP17A1
Hydrochloric Acid SCHEMBL28670608 0.81 CYP17A1 (0.40) CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785588-A Permanent static dissipative PVC (polyvinyl chloride) sole material and preparation method thereof 深圳市好亚通防护用品有限公司 2023-03-14 — — CN disclosed
CN-105086470-B A kind of antistatic silicone rubber and preparation method thereof 深圳市新纶科技股份有限公司 2017-09-12 — — CN disclosed
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