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Sugi Predict / Compounds / SCHEMBL4450096

SCHEMBL4450096

SCHEMBL4450096

C(#CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1577062 0.87 CYP3A4 (0.41) CYP3A4TDP1
SCHEMBL3075389 0.87 CYP3A4 (0.41) CYP3A4TDP1
SCHEMBL14927229 0.78 CYP3A4 (0.33) CYP3A4TDP1
SCHEMBL27343 0.78 CYP3A4 (0.50) CYP3A4TDP1
SCHEMBL1648252 0.78 TDP1 (0.50) CYP3A4TDP1
Phosphine SCHEMBL25423478 0.75 CYP3A4 (0.47) CYP3A4TDP1
SCHEMBL9803491 0.75 CYP3A4 (0.47) CYP3A4TDP1
SCHEMBL1705969 0.75 CYP3A4 (0.47) CYP3A4TDP1
SCHEMBL22749137 0.75 CYP3A4 (0.47) CYP3A4TDP1
SCHEMBL723376 0.75 CYP3A4 (0.47) CYP3A4TDP1

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
US-20090298980-A1 Curable Silicone Resin Composition and Cured Body Thereof DOW CORNING TORAY CO., LTD. (JP) 2009-12-03 — — US claimed
US-20090298980-A1 Curable Silicone Resin Composition and Cured Body Thereof DOW CORNING TORAY CO., LTD. (JP) 2009-12-03 — — US disclosed