SCHEMBL6255104

SCHEMBL6255104

C=CC(=O)O[CH]OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
ALDH1A1 P00352 7/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
FGFR4 P22455 1/20 0.37
THRB P10828 3/20 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
SCHEMBL27804807 0.83
SCHEMBL28606958 0.80 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7541813 0.80 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL36144 0.80
SCHEMBL7541809 0.80 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4629752 0.78
Lithium SCHEMBL31392601 0.78
SCHEMBL584332 0.78
Formaldehyde SCHEMBL28662625 0.78
Ammonia Solution, Strong SCHEMBL30421545 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828766-B2 HIGH INDEX/HIGH ABBE NUMBER COMPOSITION SOLA INT HOLDINGS (AU) 2005-10-05 EP disclosed
EP-0828766-B1 HIGH INDEX/HIGH ABBE NUMBER COMPOSITION SOLA INT HOLDINGS (AU) 2001-03-21 EP disclosed
EP-0262255-B1 ACRYLOXYMETHYL SUBSTITUTED FATTY COMPOUNDS HENKEL CORPORATION (a Delaware corp.) (US) 1991-08-28 EP disclosed
EP-0266436-A1 Substituted fatty ethers HENKEL CORPORATION (a Delaware corp.) (US) 1988-05-11 EP disclosed
EP-0262255-A1 Acryloxymethyl substituted fatty compounds HENKEL CORPORATION (a Delaware corp.) (US) 1988-04-06 EP disclosed
US-4647688-A CYANOETHERS OR AMIDEETHERS OF FATTY ALCOHOLS HENKEL CORPORATION (US) 1987-03-03 US disclosed
US-4626582-A Acryloxymethyl substituted fatty compounds HENKEL CORPORATION (US) 1986-12-02 US disclosed