SCHEMBL728392

SCHEMBL728392

C=CC/C(O)=C(/O)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FGFR4 P22455 1/20 0.35
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 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
SCHEMBL4758051 0.79 LMNA (0.33) ALDH1A1TSHRLMNA
SCHEMBL3424071 0.78 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4LDHALDHB
SCHEMBL504358 0.76 TDP1 (0.36) ALDH1A1TSHRFGFR4LMNA
SCHEMBL8570758 0.75 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4LDHALDHB
Urea SCHEMBL11879610 0.70 ALDH1A1 (0.45) ALDH1A1TSHRFGFR4LDHALDHB
SCHEMBL11866338 0.70 ALDH1A1 (0.40) ALDH1A1TSHRFGFR4LDHALDHB
SCHEMBL27856342 0.70
SCHEMBL11866326 0.70 ALDH1A1 (0.40) ALDH1A1TSHRFGFR4LDHALDHB
SCHEMBL27819 0.70
SCHEMBL10964735 0.70 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4LDHALDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441804-B1 Water-in-oil bitumen dispersions and methods for producing paving compositions from the same MEADWESTVACO CORP (US) 2014-12-03 EP claimed
EP-2441804-A1 Water-in-oil bitumen dispersions and methods for producing paving compositions from the same MeadWestvaco Corporation (US) 2012-04-18 EP claimed
JP-4748818-B2 2011-08-17 JP claimed
JP-2009531565-A 2009-09-03 JP claimed
EP-1915420-A4 WATER-IN-OIL BITUMEN DISPERSIONS AND METHODS FOR PRODUCING PAVING COMPOSITIONS FROM THE SAME MEADWESTVACO CORP (US) 2009-03-04 EP claimed
EP-1915420-A2 WATER-IN-OIL BITUMEN DISPERSIONS AND METHODS FOR PRODUCING PAVING COMPOSITIONS FROM THE SAME MeadWestvaco Corporation (US) 2008-04-30 EP claimed
WO-2007112335-A2 WATER-IN-OIL BITUMEN DISPERSIONS AND METHODS FOR PRODUCING PAVING COMPOSITIONS FROM THE SAME MEADWESTVACO CORPORATION (US) 2007-10-04 WO claimed
EP-3394178-A1 ADHESIVE COMPOSITIONS WITH TUNABLE RHEOLOGICAL PROPERTIES Ingevity South Carolina, LLC (US) 2018-10-31 EP disclosed
WO-2017112915-A1 ADHESIVE COMPOSITIONS WITH TUNABLE RHEOLOGICAL PROPERTIES INGEVITY SOUTH CAROLINA, LLC (US) 2017-06-29 WO disclosed
EP-2441804-B1 Water-in-oil bitumen dispersions and methods for producing paving compositions from the same MEADWESTVACO CORP (US) 2014-12-03 EP disclosed
EP-2441804-A1 Water-in-oil bitumen dispersions and methods for producing paving compositions from the same MeadWestvaco Corporation (US) 2012-04-18 EP disclosed