SCHEMBL2222185

SCHEMBL2222185

C=C(C)COCC(=O)O.O[Ti](O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
TSHR P16473 1/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
THRB P10828 1/20 0.32
GPR174 Q9BXC1 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
SCHEMBL626053 0.93
Acetic Acid SCHEMBL27590215 0.77 FFAR3 (0.47) PTGS1TSHRCTHCBSTHPO
SCHEMBL608739 0.77
SCHEMBL28653763 0.77 PTGS1 (0.33) PTGS1TSHR
SCHEMBL15136484 0.74 TET2 (0.35) GPR174
Ethylene SCHEMBL18741052 0.74 TSHR (0.47) PTGS1TSHRCTHCBSTHPO
SCHEMBL26928 0.74
SCHEMBL12852972 0.73 BTN3A1 (0.38) PTGS1TSHRCTHCBSTHPO
SCHEMBL11300608 0.73 LMNA (0.39) TSHRTHRB
SCHEMBL1081398 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521762-A1 THERMALLY CONDUCTIVE SILICONE GREASE COMPOSITION Dow Corning Toray Co., Ltd. (JP) 2012-11-14 EP disclosed
WO-2011083880-A1 THERMALLY CONDUCTIVE SILICONE GREASE COMPOSITION DOW CORNING TORAY CO., LTD. (JP) 2011-07-14 WO disclosed