SCHEMBL5570447

SCHEMBL5570447

CCC(CC)(CCC(=O)OC(C)=O)C(=O)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.33

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
SCHEMBL5570450 0.85 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL1728131 0.81 ALDH1A1 (0.45) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL9015631 0.80 ALDH1A1 (0.36) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL4653162 0.79 ALDH1A1 (0.43) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL6365280 0.74 ALDH1A1 (0.46) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL677242 0.74 ALDH1A1 (0.45) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL27814500 0.73 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL28625986 0.72 TSHR (0.48) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL6656497 0.72 ALDH1A1 (0.36) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL28423843 0.72 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1

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
US-7166648-B2 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-20050256218-A1 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-11-17 US disclosed
EP-1490412-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-12-29 EP disclosed
WO-2003082929-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-10-09 WO disclosed