SCHEMBL16100685

SCHEMBL16100685

CC(CCO)CC(O)C(O)C(C)(C)CO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS1 P23219 1/20 0.30
KCNH2 Q12809 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
SCHEMBL5886044 0.81 DPP4 (0.35) PTGS1KCNH2
SCHEMBL9627115 0.79 TDP1 (0.35) TRPA1
SCHEMBL1904032 0.78 TRPA1 (0.45) TRPA1ALDH1A1ALOX15
SCHEMBL2152238 0.72 PTGS1 (0.40) TRPA1PTGS1KCNH2
SCHEMBL19741593 0.72 TSHR (0.38) ALDH1A1ALOX15PTGS1KCNH2
SCHEMBL21525112 0.72 THRB (0.36) PTGS1KCNH2
1,3-Butanediol SCHEMBL28122427 0.71 TRPA1 (0.37) TRPA1ALDH1A1PTGS1KCNH2
SCHEMBL5172111 0.71 PTGS1 (0.39) TRPA1PTGS1KCNH2
SCHEMBL10835231 0.70 TSHR (0.40) TRPA1ALDH1A1ALOX15
SCHEMBL8604366 0.69 TRPA1 (0.50) TRPA1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160160078-A1 OXIRANE (ETHYLENE OXIDE) POLYURETHANE COATINGS LAKE REGION MANUFACTURING, INC. DBA LAKE REGION MEDICAL 2016-06-09 US claimed
EP-2970712-A1 OXIRANE (ETHYLENE OXIDE) POLYURETHANE COATINGS Lake Region Manufacturing, Inc. d/b/a Lake Region Medical (US) 2016-01-20 EP claimed
WO-2014152722-A1 OXIRANE (ETHYLENE OXIDE) POLYURETHANE COATINGS Lake Region Manufacturing, Inc. d/b/a Lake Region Medical (US) 2014-09-25 WO claimed
EP-2970712-A1 OXIRANE (ETHYLENE OXIDE) POLYURETHANE COATINGS Lake Region Manufacturing, Inc. d/b/a Lake Region Medical (US) 2016-01-20 EP disclosed
WO-2014152722-A1 OXIRANE (ETHYLENE OXIDE) POLYURETHANE COATINGS Lake Region Manufacturing, Inc. d/b/a Lake Region Medical (US) 2014-09-25 WO disclosed