SCHEMBL19973753

SCHEMBL19973753

[CH2]CCCC=CC=CC=CCCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
FASN P49327 1/20 0.36
FAAH O00519 5/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL28731048 1.00 TSHR (0.46) TSHRALDH1A1FASNFAAHCNR1
SCHEMBL28730980 1.00 TSHR (0.46) TSHRALDH1A1FASNFAAHCNR1
SCHEMBL19973751 1.00 TSHR (0.46) TSHRALDH1A1FASNFAAHCNR1
SCHEMBL19973706 0.97 TSHR (0.43) TSHRALDH1A1FASNFAAHCNR1
SCHEMBL19973701 0.97 TSHR (0.43) TSHRALDH1A1FASNFAAHCNR1
SCHEMBL19973758 0.93 TSHR (0.50) TSHRALDH1A1FASNFAAHCNR1
SCHEMBL19974099 0.93 TSHR (0.50) TSHRALDH1A1FASNFAAHCNR1
SCHEMBL19974100 0.93 TSHR (0.50) TSHRALDH1A1FASNFAAHCNR1
SCHEMBL19973756 0.93 TSHR (0.50) TSHRALDH1A1FASNFAAHCNR1
SCHEMBL10716233 0.91 TSHR (0.48) TSHRALDH1A1FASNFAAHCNR1

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-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050794-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
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed