SCHEMBL27800403

SCHEMBL27800403

C=C(C)C(=O)OC1(C(=O)OCCC)C=CCCC1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30
PPP1CC P36873 1/20 0.30

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
SCHEMBL28111079 0.84
SCHEMBL27779304 0.71 TSHR (0.33) TSHRPPM1BPTPN1PPP1CC
SCHEMBL3989228 0.70 THRB (0.34) TSHR
SCHEMBL28385403 0.68 TSHR (0.38) TSHR
SCHEMBL27216276 0.68 ALDH1A1 (0.34) TSHR
SCHEMBL27216287 0.66 PPARG (0.36) TSHR
SCHEMBL27216292 0.66 PPARG (0.36) TSHR
Acetic Acid SCHEMBL21001126 0.62 TSHR (0.64) TSHRPPM1BPTPN1PPP1CC
SCHEMBL21772349 0.61 TSHR (0.69) TSHR
SCHEMBL16573 0.61

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
CN-101657478-B Active energy ray-curable resin composition, active energy ray-curable coating material, and method for forming protective layer DAINIPPON INK & CHEMICALS 2011-07-27 CN disclosed
CN-101657478-A Active energy ray-curable resin composition, active energy ray-curable coating material, and method for forming protective layer DAINIPPON INK & CHEMICALS JP 2010-02-24 CN disclosed