SCHEMBL5718396

SCHEMBL5718396

CCC(C)C(O)(C(=O)O)C(O)(C(=O)O)C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CPT2 P23786 1/20 0.33
ACLY P53396 1/20 0.33
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
FFAR3 O14843 1/20 0.32
KIF11 P52732 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
TP53 P04637 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 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
SCHEMBL2987911 0.79 TSHR (0.36) TSHRALDH1A1FFAR3KIF11HMGCR
SCHEMBL2163518 0.77 CYP1A2 (0.40) TSHRALDH1A1KIF11CYP2D6
SCHEMBL9829183 0.77 CYP1A2 (0.40) TSHRALDH1A1KIF11CYP2D6
SCHEMBL9829180 0.77 CYP1A2 (0.40) TSHRALDH1A1KIF11CYP2D6
SCHEMBL4397555 0.77 TSHR (0.41) TSHRALDH1A1FFAR3KIF11HMGCR
SCHEMBL28948545 0.77 TSHR (0.41) TSHRALDH1A1FFAR3KIF11HMGCR
SCHEMBL29799742 0.77 TSHR (0.41) TSHRALDH1A1FFAR3KIF11HMGCR
SCHEMBL28418458 0.76 TSHR (0.33) TSHRALDH1A1FFAR3KIF11CHRM1
SCHEMBL20702119 0.75 CPT2 (0.35) TSHRALDH1A1CPT2ACLYKIF11
SCHEMBL5369984 0.74 TSHR (0.36) TSHRALDH1A1FFAR3KIF11CYP2D6

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-1142963-B1 Use of tartaric acid diesters as biodegradable surfactants AIR PROD & CHEM (US) 2006-03-15 EP disclosed
US-6585814-B2 Hydrocarbon solvent free, aqueous coatings, inks, adhesives and agricultural agents AIR PRODUCTS AND CHEMICALS, INC. 2003-07-01 US disclosed
US-6544591-B2 Applying a coating of a water-based formulation which is free of hydrocarbon solvent to a surface to partially or fully coat the surface and drying the coating, the formulation containing tartaric acid diester AIR PRODUCTS AND CHEMICALS, INC. 2003-04-08 US disclosed
US-20030033957-A1 Tartaric acid diesters as biodegradable surfactants SLONE CAROLINE SASSANO (US) 2003-02-20 US disclosed
US-20030008943-A1 Tartaric acid diesters as biodegradable surfactants SLONE CAROLINE SASSANO (US) 2003-01-09 US disclosed
US-6423376-B1 COATING A WATER BASED COMPOSITE FREE OF HYDROCARBON SOLVENT TO SURFACE, REDUCING THE SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2002-07-23 US disclosed
EP-1142963-A1 Tartaric acid diesters as biogradable surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-10 EP disclosed