SCHEMBL31539924

SCHEMBL31539924

Cl[Ru](Cl)Cl.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ESR1 P03372 4/20 0.52
ESR2 Q92731 4/20 0.52
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
DRD1 P21728 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6886030 0.97 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL28390312 0.97 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL1258556 0.97 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
Water SCHEMBL29026722 0.94 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL5692052 0.88 TDP1 (0.80) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL201704 0.87 TDP1 (0.92) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL852493 0.87 TDP1 (0.92) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL236600 0.87 TDP1 (0.92) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL22558063 0.87 TDP1 (0.92) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL3931585 0.87 TDP1 (0.92) CYP3A4TDP1ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819234-B Method for olefin carbonylation reaction 浙江新和成股份有限公司 2025-04-29 CN disclosed