SCHEMBL19974080

SCHEMBL19974080

[CH2]C=CC=CCCCC=C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 1/20 0.30
ABCC4 O15439 1/20 0.30
MAPT P10636 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
SCHEMBL19974076 1.00 TSHR (0.38) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL19973726 0.95 TSHR (0.40) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL19973725 0.95 TSHR (0.40) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL27651164 0.92 TSHR (0.44) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL348455 0.80
SCHEMBL10550268 0.80
SCHEMBL348456 0.80
SCHEMBL28516267 0.80 TSHR (0.52) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL28978618 0.79 TSHR (0.38) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL5610514 0.78

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-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