SCHEMBL4357367

SCHEMBL4357367

C=CCCC(CCCCCCC)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 3/20 0.39
PLA2G2C Q5R387 1/20 0.38
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CA2 P00918 1/20 0.33
PPARG P37231 8/20 0.33
PPARA Q07869 2/20 0.33
TRPA1 O75762 1/20 0.33
FBP1 P09467 1/20 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
SCHEMBL29843084 0.93 TSHR (0.55) TSHRALDH1A1PLA2G2CPPARGPPARA
SCHEMBL11880100 0.85 ALDH1A1 (0.50) ALDH1A1CA2
SCHEMBL1117330 0.85 ALDH1A1 (0.50) ALDH1A1CA2
SCHEMBL1117316 0.85 ALDH1A1 (0.50) ALDH1A1CA2
SCHEMBL1117378 0.85 ALDH1A1 (0.50) ALDH1A1CA2
SCHEMBL1117396 0.85 ALDH1A1 (0.50) ALDH1A1CA2
SCHEMBL1117326 0.85 ALDH1A1 (0.50) ALDH1A1CA2
SCHEMBL1117407 0.85 ALDH1A1 (0.50) ALDH1A1CA2
SCHEMBL1117328 0.85 ALDH1A1 (0.50) ALDH1A1CA2
SCHEMBL1117335 0.85 ALDH1A1 (0.50) ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed
WO-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed