SCHEMBL8646263

SCHEMBL8646263

CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[S+](C)Cc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2A6 P11509 1/20 0.39
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
RORC P51449 1/20 0.35
MAPT P10636 1/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
LTB4R2 Q9NPC1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 4/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL9003759 0.87 TSHR (0.39) TSHRHSD17B10CYP2A6MAOBMAOA
SCHEMBL8757126 0.86 DNM1 (0.37) SMN1; SMN2
SCHEMBL8852361 0.84 TSHR (0.46) TSHRHSD17B10CYP2A6MAOBMAOA
SCHEMBL8757068 0.82 SMN1; SMN2 (0.36) MAOBMAOANPC1SMN1; SMN2L3MBTL1
SCHEMBL9003657 0.82 MAOA (0.38) TSHRHSD17B10CYP2A6MAOBMAOA
SCHEMBL9003318 0.78 TSHR (0.40) TSHRHSD17B10CYP2A6MAOBMAOA
SCHEMBL8757295 0.77
SCHEMBL8756194 0.76 TSHR (0.35) TSHRSMN1; SMN2
SCHEMBL7105990 0.76 CYP2A6 (0.58) TSHRHSD17B10CYP2A6MAOBMAOA
Bromide SCHEMBL7101771 0.74 CYP2A6 (0.56) TSHRHSD17B10CYP2A6MAOBMAOA

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
EP-0690074-B1 Photopolymerization initiator composition and photopolymerizable composition TOYO INK MFG CO (JP) 1998-09-02 EP disclosed
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-0690074-A1 Photopolymerization initiator composition and photopolymerizable composition TOYO INK MANUFACTURING CO., LTD. (JP) 1996-01-03 EP 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