SCHEMBL5497045

SCHEMBL5497045

BrCc1ccccc1CBr.OCCCCCCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 4/20 0.36
TRPA1 O75762 1/20 0.36
APOBEC3G Q9HC16 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSPA5 P11021 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LIPG Q9Y5X9 1/20 0.32

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
Bromide SCHEMBL8311140 0.84 POLB (0.37) TSHRALDH1A1TRPA1APOBEC3GKDM4E
SCHEMBL29382225 0.81 TSHR (0.50) TSHRALDH1A1TRPA1TDP1HSPA5
SCHEMBL28289 0.81 TSHR (0.50) TSHRALDH1A1TRPA1TDP1HSPA5
SCHEMBL9140201 0.80 TDP1 (0.44) TSHRALDH1A1TRPA1APOBEC3GCA2
1,6-Hexanediol SCHEMBL28386159 0.79 APOBEC3G (0.48) TSHRALDH1A1APOBEC3GKCNH3KDM4E
SCHEMBL29791054 0.79 APOBEC3G (0.48) TSHRALDH1A1TRPA1APOBEC3GKDM4E
SCHEMBL1665373 0.79 APOBEC3G (0.48) TSHRALDH1A1TRPA1APOBEC3GKDM4E
SCHEMBL2178352 0.77 LIPG (0.47) APOBEC3GKCNH3CA2TDP1LIPG
SCHEMBL30750761 0.74 LIPG (0.43) TSHRALDH1A1APOBEC3GKCNH3KDM4E
SCHEMBL9672220 0.74 LIPG (0.43) TSHRALDH1A1APOBEC3GKCNH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1835557-A2 Conductive polyamine-based electrolyte THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2007-09-19 EP disclosed
US-7238451-B2 Crosslinking polyethylenimine THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2007-07-03 US disclosed
EP-1393394-B1 CONDUCTIVE POLYAMINE-BASED ELECTROLYTE UNIV OKLAHOMA (US) 2006-11-22 EP disclosed
EP-1393394-A2 CONDUCTIVE POLYAMINE-BASED ELECTROLYTE The University of Oklahoma (US) 2004-03-03 EP disclosed
US-20020160271-A1 Conductive polyamine-based electrolyte THE BOARD OF REAGENTS OF THE UNIVERSITY OF OKLAHOMA 2002-10-31 US disclosed
WO-2002054515-A2 CONDUCTIVE POLYAMINE-BASED ELECTROLYTE THE UNIVERSITY OF OKLAHOMA (US) 2002-07-11 WO disclosed