SCHEMBL10965486

SCHEMBL10965486

CC(=O)OC(OC(C)=O)/C(C)=C/C=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL10965491 1.00 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14477045 0.79 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7875454 0.77 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7875451 0.77 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10537006 0.75
SCHEMBL10537011 0.75
SCHEMBL10965955 0.71 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10965958 0.71 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5496977 0.70 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10785233 0.70 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090231-B1 PROCESS FOR THE PREPARATION OF 3-ALKYL-2,5-DIHYDROFURAN-2-ONES BASF Aktiengesellschaft (DE) 1985-11-13 EP disclosed
EP-0090231-A1 Process for the preparation of 3-alkyl-2,5-dihydrofuran-2-ones BASF Aktiengesellschaft (DE) 1983-10-05 EP disclosed