SCHEMBL809737

SCHEMBL809737

C=Cc1ccc(I)c(CCl)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 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
SCHEMBL11073040 0.81 ALDH1A1 (0.43) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL28810738 0.80 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL810315 0.78 ALDH1A1 (0.40) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL809528 0.76 TP53 (0.41) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL809950 0.76 ALDH1A1 (0.39) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL19088810 0.76 ALDH1A1 (0.39) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL809841 0.76 ALDH1A1 (0.39) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL14760945 0.76 TRPA1 (0.47) ALDH1A1TRPA1
SCHEMBL810422 0.74 TDP1 (0.39) ALDH1A1TP53TDP1TRPA1
SCHEMBL19066574 0.74 ALDH1A1 (0.37) ALDH1A1TP53TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed