SCHEMBL2038860

SCHEMBL2038860

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.34
BTN3A1 O00481 1/20 0.31
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.93 TSHR (0.39) THRBTSHRALDH1A1LPAR3LPAR1
SCHEMBL3677974 0.93 TSHR (0.42) THRBTSHRALDH1A1LPAR3LPAR1
SCHEMBL176509 0.90 TSHR (0.40) THRBTSHRALDH1A1BTN3A1LPAR3
SCHEMBL6466015 0.84 THRB (0.35) THRBTSHR
SCHEMBL27781350 0.84 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28874078 0.83 TSHR (0.41) THRBTSHRALDH1A1LPAR3LPAR1
SCHEMBL2944692 0.82 THRB (0.44) THRBTSHRALDH1A1
SCHEMBL6851650 0.82 TSHR (0.38) THRBTSHRALDH1A1
SCHEMBL541439 0.82 TSHR (0.42) THRBTSHRALDH1A1LPAR3LPAR1
SCHEMBL28874092 0.81 TSHR (0.46) THRBTSHRLPAR3LPAR1LPAR2

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-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
CN-108463493-B Polymeric substrate having a surface with reduced biomolecule adhesion and thermoplastic articles of such substrate SIO2医药产品公司 2021-10-15 CN disclosed
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-2512416-A2 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU L'Oréal (FR) 2012-10-24 EP disclosed
WO-2011073279-A2 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU L'OREAL (FR) 2011-06-23 WO disclosed