SCHEMBL8955987

SCHEMBL8955987

CC=C(C)C(=O)OCC(C)C(O)CC

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TRPA1 O75762 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
SCHEMBL1178580 0.85 TSHR (0.41) TSHRCYP2D6CYP2C19
SCHEMBL9779543 0.82 FAAH (0.43)
SCHEMBL9779257 0.81 FAAH (0.46) CYP2D6
SCHEMBL9779580 0.81 FAAH (0.46) CYP2D6
SCHEMBL8922836 0.80 USP2 (0.33) TSHR
SCHEMBL6671428 0.80 TSHR (0.60) TSHRTRPA1
SCHEMBL10605323 0.79 MAPT (0.42) TSHR
SCHEMBL10605319 0.79 MAPT (0.42) TSHR
SCHEMBL10649967 0.79 TSHR (0.39) TSHR
SCHEMBL28501027 0.79 ALDH1A1 (0.42) TSHRTRPA1

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-0690080-A2 Hindered-hydroxyl functional (meth) acrylate monomers containing di (meth) acrylates and compositions including same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-03 EP claimed
US-5442023-A Without premature crosslinking or gel formation; curable protective coatings, inks, adhesives UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-08-15 US claimed
EP-0690080-A2 Hindered-hydroxyl functional (meth) acrylate monomers containing di (meth) acrylates and compositions including same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-03 EP disclosed
US-5442023-A Without premature crosslinking or gel formation; curable protective coatings, inks, adhesives UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-08-15 US disclosed