SCHEMBL8077901

SCHEMBL8077901

c1ccc([B-](c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 6/20 0.43
TSHR P16473 4/20 0.43
CYP2A6 P11509 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP1A2 P05177 5/20 0.41
HPGD P15428 4/20 0.41
CYP3A4 P08684 2/20 0.41
KEAP1 Q14145 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
HPRT1 P00492 1/20 0.40
CDC25B P30305 2/20 0.39
TP53 P04637 2/20 0.39
ATM Q13315 2/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
THRB P10828 1/20 0.37

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
Tetramethylammonium Ion SCHEMBL8566188 0.92 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Tetrylammonium SCHEMBL8569887 0.85 CHRNB4 (0.38) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL8652980 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL8571147 0.83 CYP2A6 (0.45) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL8754929 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Tetrabuthylammonium SCHEMBL8571197 0.80 SLC22A1 (0.36) ALDH1A1TDP1CYP1A2HPGDCYP2C9
Tetramethylammonium Ion SCHEMBL8571556 0.78 CYP2A6 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL4389367 0.74 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL8161133 0.73 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Lithium Ion SCHEMBL7105839 0.71 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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-1048707-A1 PHOTOCURABLE ADHESIVE COMPOSITION, RESIN LAMINATE MADE BY USING THE SAME, AND PROCESS FOR PRODUCING THE SAME Showa Denko Kabushiki Kaisha (JP) 2000-11-02 EP disclosed
US-5814427-A RESIN BINDER, FOR REUSE OF WASTE PAPER BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
EP-0678790-A1 DECOLORABLE TONER AND PRODUCTION METHOD THEREFOR BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-25 EP disclosed