SCHEMBL19054888

SCHEMBL19054888

C=C(C)CC(c1ccc(CC)cc1)n1ccnc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 19/20 0.65
▸ CYP3A4 P08684 1/20 0.48
▸ CYP19A1 P11511 1/20 0.42

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
SCHEMBL21181014 0.89 CYP17A1 (0.65) CYP17A1CYP3A4
SCHEMBL19054890 0.85 CYP17A1 (0.56) CYP17A1CYP3A4CYP19A1
SCHEMBL2348613 0.72 CYP17A1 (0.67) CYP17A1CYP3A4CYP19A1
SCHEMBL19445209 0.72 CYP17A1 (0.39) CYP17A1CYP3A4
SCHEMBL9201425 0.71 CYP19A1 (0.55) CYP17A1CYP3A4CYP19A1
SCHEMBL19054886 0.70 CYP19A1 (0.55) CYP17A1CYP19A1
SCHEMBL410598 0.70 CYP17A1 (0.56) CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL3643107 0.70 CYP17A1 (0.48) CYP17A1CYP3A4
Hydrochloric Acid SCHEMBL9996065 0.70 CYP17A1 (0.78) CYP17A1CYP3A4CYP19A1
SCHEMBL9784394 0.69 CYP17A1 (0.67) CYP17A1CYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3228641-B1 CURABLE COMPOSITION TOKYO OHKA KOGYO CO LTD (JP) 2019-07-03 — — EP disclosed
EP-3330320-B1 POLYIMIDE PRECURSOR COMPOSITION TOKYO OHKA KOGYO CO LTD (JP) 2019-04-24 — — EP disclosed
EP-3330320-A1 POLYIMIDE PRECURSOR COMPOSITION Tokyo Ohka Kogyo Co., Ltd. (JP) 2018-06-06 — — EP disclosed
EP-3228641-A1 CURABLE COMPOSITION Tokyo Ohka Kogyo Co., Ltd. (JP) 2017-10-11 — — EP disclosed
EP-3184511-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD Tokyo Ohka Kogyo Co., Ltd. (JP) 2017-06-28 — — EP disclosed
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