SCHEMBL3677974

SCHEMBL3677974

C=C(C)C(=O)OCCCC(CCOP(=O)(O)O)[N+](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.36
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32

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
SCHEMBL16737919 0.95 TSHR (0.39) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2038860 0.93 THRB (0.39) TSHRTHRBPOLBAPEX1HTT
SCHEMBL541439 0.89 TSHR (0.42) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14675853 0.87 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL541226 0.85 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL541451 0.84 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2034320 0.84 TSHR (0.47) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL176509 0.83 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28874073 0.82 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2038241 0.81 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3862384-A2 POLYMERIC SUBSTRATE WITH A SURFACE HAVING REDUCED BIOMOLECULE ADHESION, AND THERMOPLASTIC ARTICLES OF SUCH SUBSTRATE SiO2 Medical Products, Inc. (US) 2021-08-11 EP claimed
WO-2015077081-A1 ANTI-THROMBOGENIC MEDICAL DEVICES AND METHODS COVIDIEN LP (US) 2015-05-28 WO claimed
EP-3862384-A2 POLYMERIC SUBSTRATE WITH A SURFACE HAVING REDUCED BIOMOLECULE ADHESION, AND THERMOPLASTIC ARTICLES OF SUCH SUBSTRATE SiO2 Medical Products, Inc. (US) 2021-08-11 EP disclosed
WO-2015077081-A1 ANTI-THROMBOGENIC MEDICAL DEVICES AND METHODS COVIDIEN LP (US) 2015-05-28 WO disclosed
EP-2160193-A1 FURANONE COPOLYMERS Tyco Healthcare Group LP (US) 2010-03-10 EP disclosed
WO-2008144248-A1 FURANONE COPOLYMERS TYCO HEALTHCARE GROUP LP (US) 2008-11-27 WO disclosed