SCHEMBL251339

SCHEMBL251339

C=C/[C]=C/CCCCCC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
PTGS1 P23219 1/20 0.37
PPARG P37231 1/20 0.37
OPRK1 P41145 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
DNM1 Q05193 3/20 0.36
EP300 Q09472 1/20 0.34

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
SCHEMBL19974043 1.00 TSHR (0.54) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL7646309 1.00 TSHR (0.54) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL9111564 1.00 TSHR (0.54) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL250630 0.98
SCHEMBL249627 0.90
SCHEMBL250433 0.79
SCHEMBL20490085 0.79
SCHEMBL2371285 0.79 TSHR (0.46) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL5174528 0.79 TSHR (0.46) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL2371298 0.79 TSHR (0.46) TSHRALDH1A1THRBFAAHTRPV1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
EP-2589058-A1 PHOTOELECTRIC CONVERSION DEVICE COMPRISING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF AS ADDITIVE AND PROCESS FOR PRODUCING SAME BASF SE (DE) 2013-05-08 EP disclosed
WO-2012001628-A1 PHOTOELECTRIC CONVERSION DEVICE COMPRISING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF AS ADDITIVE AND PROCESS FOR PRODUCING SAME BASF SE (DE) 2012-01-05 WO disclosed