SCHEMBL30066040

SCHEMBL30066040

Nc1ccc(-c2ccc(OC3(F)C(F)(F)C(F)(F)C3(F)OC3(N)C=CC(c4ccccc4)=CC3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1119476 0.74 MAOA (0.37) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL29488303 0.74 ALDH1A1 (0.41) CYP3A4TDP1
SCHEMBL21753771 0.71 RAB9A (0.41) TDP1
SCHEMBL7999615 0.69 TAAR1 (0.38) CYP3A4TAAR1HSD17B10TDP1
Biphenyl SCHEMBL28296182 0.69 TAAR1 (0.38) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL9549817 0.68 ALDH1A1 (0.46) CYP3A4TDP1
SCHEMBL30089441 0.68 TDP1 (0.32) CYP3A4TDP1
SCHEMBL1119438 0.68 MAOB (0.38) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL5852516 0.68 HSD17B10 (0.46) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL1120013 0.67 TAAR1 (0.34) CYP3A4TAAR1HSD17B10TDP1

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-115322398-A Polyimide fine particles 施乐公司 2022-11-11 CN claimed
CN-115322398-A Polyimide fine particles 施乐公司 2022-11-11 CN disclosed