SCHEMBL27670698

SCHEMBL27670698

CCCC(CC)n1ccnc1.F[B-](F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.46
CYP19A1 P11511 8/20 0.39
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL16164353 0.93 CYP17A1 (0.46) CYP17A1CYP19A1CYP11B1CYP11B2
Water SCHEMBL28177910 0.91 CYP17A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2
Ammonia Solution, Strong SCHEMBL28286475 0.91 CYP17A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL28070483 0.91 CYP17A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL27890149 0.90 CYP17A1 (0.48) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL28236448 0.89 CYP17A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL16163611 0.85 CYP17A1 (0.49) CYP17A1CYP19A1
SCHEMBL28243670 0.83 CYP17A1 (0.41) CYP17A1CYP19A1
SCHEMBL28303234 0.83 CYP17A1 (0.41) CYP17A1CYP19A1
SCHEMBL19121248 0.82 CYP17A1 (0.49) CYP17A1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036510-A Positive active material composition, anode and secondary cell 富士硅化学株式会社 2019-07-19 CN disclosed
CN-109536994-A A kind of method that electrodeposition process prepares metallic lead 东北大学 2019-03-29 CN disclosed
CN-106663797-A Electrode material, lithium-sulfur battery electrode, lithium-sulfur battery and battery material production method 东丽株式会社 2017-05-10 CN disclosed
CN-106463766-A Lithium metal secondary battery 日东电工株式会社 2017-02-22 CN disclosed
CN-1988955-B Method for producing oxygen-containing compound SUMITOMO CHEMICAL CO 2010-09-29 CN disclosed
CN-1988955-A Method for producing oxygen-containing compound SUMITOMO CHEMICAL CO (JP) 2007-06-27 CN disclosed