SCHEMBL19974220

SCHEMBL19974220

[CH2]CCC=CC=CC=CC=CCCCC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 2/20 0.52
FASN P49327 1/20 0.41
FAAH O00519 6/20 0.34
TRPV1 Q8NER1 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 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
SCHEMBL19974217 1.00 TSHR (0.52) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19974230 1.00 TSHR (0.52) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19974229 1.00 TSHR (0.52) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19974263 1.00 TSHR (0.52) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19974264 1.00 TSHR (0.52) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19973831 0.97 TSHR (0.48) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19973832 0.97 TSHR (0.48) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL26905273 0.97 TSHR (0.48) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL21484235 0.95 TSHR (0.46) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL18837279 0.93 TSHR (0.45) TSHRALDH1A1FASNFAAHTRPV1

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-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES 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-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