SCHEMBL23660896

SCHEMBL23660896

COC(CCCCCCBr)OC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 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
SCHEMBL1190984 1.00 SMPD1 (0.30) SMPD1
SCHEMBL4725556 1.00 SMPD1 (0.30) SMPD1
SCHEMBL18746889 1.00 SMPD1 (0.30) SMPD1
SCHEMBL20129008 1.00 SMPD1 (0.30) SMPD1
SCHEMBL4777139 1.00 SMPD1 (0.30) SMPD1
SCHEMBL3690528 0.97
SCHEMBL4872445 0.89
SCHEMBL10081549 0.87 RAB9A (0.31)
SCHEMBL7934735 0.86 SMPD1 (0.36) SMPD1
SCHEMBL7934687 0.86 SMPD1 (0.36) SMPD1

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
WO-2021143822-A1 BICYCLIC IMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2021-07-22 WO disclosed