SCHEMBL1301890

SCHEMBL1301890

CC(C)=CC/C=C(\C=O)CC=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
PNLIP P16233 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1301887 1.00 TRPA1 (0.34) TRPA1PNLIPALDH1A1
SCHEMBL1301892 1.00 TRPA1 (0.34) TRPA1PNLIPALDH1A1
SCHEMBL2573442 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL30836548 0.77
SCHEMBL228318 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL228319 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL13079615 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1301608 0.76 SQLE (0.38) ALDH1A1
SCHEMBL1301611 0.76 SQLE (0.38) ALDH1A1
SCHEMBL820041 0.72

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
WO-2015128428-A1 PHEROMONE DISPENSER MADE OF PLASTIC MATERIAL BASF SE (DE) 2015-09-03 WO disclosed
EP-2384111-A1 PHEROMONE DISPENSER BASF SE (DE) 2011-11-09 EP disclosed
US-20110266361-A1 PHEROMONE DISPENSER BASF SE (DE) 2011-11-03 US disclosed
WO-2010076316-A1 PHEROMONE DISPENSER BASF SE (DE) 2010-07-08 WO disclosed
US-5068453-A Novel monoterpenes DAIKIN INDUSTRIES, LTD. (JP) 1991-11-26 US disclosed
EP-0387790-A2 Novel monoterpenes DAIKIN INDUSTRIES, LIMITED (JP) 1990-09-19 EP disclosed