SCHEMBL2228366

SCHEMBL2228366

C=CCCCCCCCCCOCCC#N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LPAR3 Q9UBY5 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
TSHR P16473 2/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.35
TRPA1 O75762 2/20 0.34
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.32
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
SLC2A1 P11166 1/20 0.31

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
SCHEMBL13346819 1.00 ALDH1A1 (0.48) ALDH1A1LPAR3LPAR2TSHRZDHHC20
SCHEMBL19959732 0.86 ALDH1A1 (0.50) ALDH1A1LPAR3LPAR2TSHRZDHHC20
SCHEMBL4142356 0.84 ALDH1A1 (0.48) ALDH1A1LPAR3LPAR2TSHRZDHHC20
SCHEMBL19959731 0.83
SCHEMBL2027305 0.82 LPAR3 (0.52) ALDH1A1LPAR3LPAR2TSHRTRPA1
SCHEMBL2022487 0.82 LPAR3 (0.52) ALDH1A1LPAR3LPAR2TSHRTRPA1
SCHEMBL2028447 0.82 LPAR3 (0.52) ALDH1A1LPAR3LPAR2TSHRTRPA1
SCHEMBL891891 0.82 LPAR3 (0.52) ALDH1A1LPAR3LPAR2TSHRTRPA1
SCHEMBL2026655 0.82 LPAR3 (0.52) ALDH1A1LPAR3LPAR2TSHRTRPA1
SCHEMBL15015838 0.82 ALDH1A1 (0.39) ALDH1A1TSHRZDHHC20MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4115326-A Perfuming of composition using 3-(10-undecenyloxy)proprionitrile SOCIETE ANONYME ROURE BERTRAND DUPONT (FR) 1978-09-19 US claimed
CN-115551829-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2022-12-30 CN disclosed
US-8637439-B2 Bathing gel with improved environmental profile COTY INC. (US) 2014-01-28 US disclosed
US-20130005634-A1 BATHING GEL WITH IMPROVED ENVIRONMENTAL PROFILE COTY INC. (US) 2013-01-03 US disclosed
EP-2519220-A2 BATHING GEL WITH IMPROVED ENVIRONMENTAL PROFILE Coty Inc. (US) 2012-11-07 EP disclosed
WO-2011090465-A2 BATHING GEL WITH IMPROVED ENVIRONMENTAL PROFILE COTY INC. (US) 2011-07-28 WO disclosed
EP-0491127-B1 3-(Cis-3-hexenyloxy)-propane-nitrile, its preparation and its use DRAGOCO GERBERDING CO AG (DE) 1997-07-30 EP disclosed
US-5294602-A Perfumes and odors SYMRISE AG (DE) 1994-03-15 US disclosed
EP-0491127-A1 3-(Hexenyloxy)propanenitriles, their preparation and their use Dragoco Gerberding & Co Aktiengesellschaft (DE) 1992-06-24 EP disclosed
US-4115326-A Perfuming of composition using 3-(10-undecenyloxy)proprionitrile SOCIETE ANONYME ROURE BERTRAND DUPONT (FR) 1978-09-19 US disclosed
US-4115326-A Perfuming of composition using 3-(10-undecenyloxy)proprionitrile SOCIETE ANONYME ROURE BERTRAND DUPONT (FR) 1978-09-19 US disclosed