SCHEMBL5497046

SCHEMBL5497046

BrCc1ccc(CBr)cc1.OCCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TRPA1 O75762 1/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA2 P00918 4/20 0.41
BCHE P06276 4/20 0.37
CNR1 P21554 1/20 0.36
CYP4A11 Q02928 2/20 0.35
CYP4F2 P78329 1/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 2/20 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
SCHEMBL14072861 0.91 CA2 (0.53) TSHRALDH1A1TRPA1CA2BCHE
SCHEMBL7339165 0.84 CA2 (0.50) TSHRALDH1A1TRPA1CES2CES1
SCHEMBL131361 0.78 ALDH1A1 (0.67) TSHRALDH1A1TRPA1CES2CES1
SCHEMBL1109793 0.78 CA2 (0.59) TSHRALDH1A1TRPA1CES2CES1
1,6-Hexanediol SCHEMBL9893399 0.77 TSHR (0.50) TSHRALDH1A1CA2CNR1CYP4A11
SCHEMBL506795 0.77 TSHR (0.50) TSHRALDH1A1TRPA1CES2CES1
Bromide SCHEMBL29980639 0.75 ALDH1A1 (0.62) TSHRALDH1A1TRPA1CES2CES1
SCHEMBL23837668 0.74 CA2 (0.63) ALDH1A1CA2BCHECYP4A11CYP4F2
SCHEMBL4195590 0.74 CA2 (0.63) ALDH1A1CA2BCHECYP4A11CYP4F2
SCHEMBL3424786 0.74 CA2 (0.63) ALDH1A1CA2BCHECYP4A11CYP4F2

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