SCHEMBL19973879

SCHEMBL19973879

[CH2]CC/C=C/C=C/C=C/C=C/CC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PPARA Q07869 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
SCHEMBL19973931 1.00 TRPA1 (0.39) TRPA1ALDH1A1TSHRPPARA
SCHEMBL19973880 1.00 TRPA1 (0.39) TRPA1ALDH1A1TSHRPPARA
SCHEMBL19973930 1.00 TRPA1 (0.39) TRPA1ALDH1A1TSHRPPARA
SCHEMBL19973866 1.00 TRPA1 (0.39) TRPA1ALDH1A1TSHRPPARA
SCHEMBL19973863 1.00 TRPA1 (0.39) TRPA1ALDH1A1TSHRPPARA
SCHEMBL19973670 0.97
SCHEMBL19973669 0.97
SCHEMBL19973784 0.84 ALDH1A1 (0.41) TRPA1ALDH1A1TSHRPPARA
SCHEMBL19973783 0.84 ALDH1A1 (0.41) TRPA1ALDH1A1TSHRPPARA
SCHEMBL28731017 0.84 ALDH1A1 (0.41) TRPA1ALDH1A1TSHRPPARA

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
CN-109715605-B Process for preparing carotenoid monoesters 巴斯夫欧洲公司 2022-04-12 CN disclosed
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed