SCHEMBL19973792

SCHEMBL19973792

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.38
FASN P49327 1/20 0.33
PPARA Q07869 2/20 0.32
F7 P08709 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP19A1 P11511 1/20 0.30
F3 P13726 1/20 0.30
RXRA P19793 1/20 0.30
PTGS1 P23219 1/20 0.30
PPARG P37231 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARD Q03181 1/20 0.30
OXER1 Q8TDS5 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
SCHEMBL19973795 1.00 ALDH1A1 (0.38) ALDH1A1TSHRTRPA1FASNPPARA
SCHEMBL28731017 0.97 ALDH1A1 (0.41) ALDH1A1TSHRTRPA1FASNPPARA
SCHEMBL28730960 0.97 ALDH1A1 (0.41) ALDH1A1TSHRTRPA1FASNPPARA
SCHEMBL19973783 0.97 ALDH1A1 (0.41) ALDH1A1TSHRTRPA1FASNPPARA
SCHEMBL19973784 0.97 ALDH1A1 (0.41) ALDH1A1TSHRTRPA1FASNPPARA
SCHEMBL19973823 0.92 ALDH1A1 (0.41) ALDH1A1TSHRTRPA1FASNPPARA
SCHEMBL19973825 0.92 ALDH1A1 (0.41) ALDH1A1TSHRTRPA1FASNPPARA
SCHEMBL25185214 0.90 ALDH1A1 (0.40) ALDH1A1TSHRTRPA1FASNPPARA
SCHEMBL14778218 0.90 ALDH1A1 (0.40) ALDH1A1TSHRTRPA1FASNPPARA
SCHEMBL19973824 0.90 ALDH1A1 (0.40) ALDH1A1TSHRTRPA1FASNPPARA

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-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS 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-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed