SCHEMBL9899520

SCHEMBL9899520

O=C1CCC(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
CYP1A2 P05177 1/20 0.31

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
SCHEMBL9899518 1.00 CYP2A6 (0.39) CYP2A6CYP1A2
SCHEMBL9899470 0.89 CYP2A6 (0.38) CYP2A6CYP1A2
SCHEMBL9899471 0.89 CYP2A6 (0.38) CYP2A6CYP1A2
SCHEMBL2048167 0.79 HPGD (0.33)
SCHEMBL2048165 0.79 HPGD (0.33)
SCHEMBL9899497 0.78 CYP2A6 (0.34) CYP2A6CYP1A2
SCHEMBL9898973 0.76 HTT (0.33) CYP2A6CYP1A2
SCHEMBL9898976 0.76 HTT (0.33) CYP2A6CYP1A2
SCHEMBL9898026 0.76 MEN1 (0.38) CYP2A6CYP1A2
SCHEMBL9898028 0.76 MEN1 (0.38) CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US claimed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US claimed
EP-2649102-B1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORP (JP) 2014-11-26 EP disclosed
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US disclosed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US disclosed