SCHEMBL19973754

SCHEMBL19973754

[CH2]/C=C/C=C/C=C/CCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
FASN P49327 1/20 0.52
FAAH O00519 5/20 0.46
TRPV1 Q8NER1 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41

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
SCHEMBL19973757 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19973689 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19973861 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19974025 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19973723 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19973923 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19973688 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19973924 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19974266 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL19974268 1.00 TSHR (0.59) 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-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS 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-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed