SCHEMBL6543947

SCHEMBL6543947

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 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
SCHEMBL5365130 0.84
SCHEMBL17715111 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1TDP1TSHRSMN1; SMN2
SCHEMBL5366789 0.79
SCHEMBL27522708 0.78 ALDH1A1 (0.39) ALDH1A1MAPK1TDP1TSHR
SCHEMBL17267574 0.77 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL27502413 0.76 ALDH1A1 (0.37) ALDH1A1MAPK1TDP1
SCHEMBL7598223 0.75 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL27697075 0.75
SCHEMBL24761418 0.71
SCHEMBL9147679 0.71 TSHR (0.52) ALDH1A1MAPK1TDP1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542217-A2 Substituted 1,5-pentanediols and processes for the preparation thereof UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-19 EP claimed
EP-1372703-A2 MATRIX STABILIZED ENZYME CRYSTALS AND METHODS OF USE IBEX TECHNOLOGIES (CA) 2004-01-02 EP disclosed
US-20020182201-A1 Matrix stabilized enzyme crystals and methods of use BIOMARIN PHARMACEUTICAL INC. 2002-12-05 US disclosed
WO-2002070646-A2 MATRIX STABILIZED ENZYME CRYSTALS AND METHODS OF USE IBEX TECHNOLOGIES (US) 2002-09-12 WO disclosed
US-5362519-A Polyesters particularly suitable for use in coating compositions which are sprayed with compressed fluids as vicosity reducing agents UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1994-11-08 US disclosed
US-5248752-A Improved moisture resistance, inks, coatings, sealants, adhesives UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-09-28 US disclosed
EP-0545110-A1 Polyesters for coating compositions which are sprayed with compressed fluids as viscosity reducing diluents UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-06-09 EP disclosed
EP-0545108-A1 Polyesters of branched aliphatic diols UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-06-09 EP disclosed
EP-0542220-A1 Polyurethanes and processes for preparing same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-19 EP disclosed
EP-0542219-A2 Polyurethane (meth)acrylates and processes for preparing same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-19 EP disclosed
EP-0542217-A2 Substituted 1,5-pentanediols and processes for the preparation thereof UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-19 EP disclosed
EP-0542218-A1 Conformal coating compositions UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-19 EP disclosed