SCHEMBL7593099

SCHEMBL7593099

C=C(C)C(=O)OCCOC(=O)C(=C)C.CCCCCC(O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
THRB P10828 1/20 0.53
GPR84 Q9NQS5 7/20 0.39
DGKA P23743 1/20 0.39
FFAR1 O14842 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL7903101 0.93 TSHR (0.77) TSHRTHRBGPR84FFAR1ZDHHC7
SCHEMBL19118612 0.90 TSHR (0.54) TSHRTHRBGPR84ZDHHC7ALDH1A1
Methacrylic Acid SCHEMBL27237681 0.89 TSHR (0.71) TSHRTHRBGPR84FFAR1POLB
SCHEMBL8084373 0.87 TSHR (0.61) TSHRTHRBALDH1A1POLBAPEX1
Hexane SCHEMBL10398498 0.87 TSHR (0.84) TSHRTHRBDGKAALDH1A1POLB
SCHEMBL8089346 0.86 TSHR (0.65) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4928448 0.85 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
Decane SCHEMBL2401068 0.85 TSHR (0.88) TSHRTHRBDGKAALDH1A1POLB
Decane SCHEMBL2399919 0.85 TSHR (0.88) TSHRTHRBDGKAALDH1A1POLB
Decane SCHEMBL2402324 0.85 TSHR (0.88) TSHRTHRBDGKAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996688-B1 AQUEOUS COATING COMPOSITION OF A SELF-STABILIZED CROSSLINKED LATEX DU PONT (US) 2002-10-16 EP disclosed
EP-0996688-A1 AQUEOUS COATING COMPOSITION OF A SELF-STABILIZED CROSSLINKED LATEX E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 EP disclosed
US-5955532-A ALKYLATED MELAMINE CROSSLINKED ADDITION POLYMERIZED GRAFT COPOLYMER USED AS PROTECTIVE COATING FOR AUTOMOBILES; WATERPROOFING, CORROSION RSEISTANCE AND GOOD FINISH E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-21 US disclosed
WO-1999003937-A1 AQUEOUS COATING COMPOSITION OF A SELF-STABILIZED CROSSLINKED LATEX E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 WO disclosed