SCHEMBL8757073

SCHEMBL8757073

C#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
APP P05067 1/20 0.32
CYP2A6 P11509 1/20 0.31
CYP19A1 P11511 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
Lithium Ion SCHEMBL9003425 0.97 ALDH1A1 (0.35) ALDH1A1APP
Tetramethylammonium Ion SCHEMBL1173476 0.90 APOBEC3A (0.33) ALDH1A1
Toluene SCHEMBL18245453 0.86 LMNA (0.48)
Tetramethylammonium Ion SCHEMBL1174055 0.79 CYP1A2 (0.38) ALDH1A1
SCHEMBL2769206 0.71 TSHR (0.41) ALDH1A1APP
SCHEMBL2769209 0.69 TSHR (0.39) ALDH1A1APP
Biphenyl SCHEMBL8358517 0.65 ALDH1A1 (0.64) ALDH1A1CYP2A6
Benzene SCHEMBL31091106 0.63 ALDH1A1 (0.50) ALDH1A1CYP2A6
SCHEMBL143876 0.63 ALDH1A1 (0.50) ALDH1A1CYP2A6
SCHEMBL11707018 0.63 ALDH1A1 (0.50) ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555058-B1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MFG CO (JP) 1997-05-07 EP disclosed
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 EP disclosed