SCHEMBL8955894

SCHEMBL8955894

C=C(C)C(=O)OCC(CC)C(CCCC)OC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
CA2 P00918 4/20 0.36
CA1 P00915 2/20 0.36
THRB P10828 1/20 0.36
CYP3A4 P08684 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.32
PRKCA P17252 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.31
RECQL P46063 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
SCHEMBL8956263 0.91 TSHR (0.45) TSHRCA2CA1THRBCYP3A4
SCHEMBL8956211 0.91 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL6858408 0.86 TSHR (0.52) TSHRTHRBTDP1ALDH1A1
SCHEMBL6670156 0.85 TSHR (0.40) TSHRCA2CA1THRBCYP3A4
SCHEMBL11057147 0.82 TSHR (0.47) TSHRCA2LMNA
SCHEMBL6668662 0.82 TSHR (0.47) TSHRCA2CA1THRBCYP3A4
SCHEMBL6553011 0.81 TSHR (0.42) TSHRCA2CA1THRBCYP3A4
SCHEMBL8955893 0.81 TSHR (0.50) TSHRCA2CA1THRBCYP3A4
SCHEMBL22230991 0.79 ALDH1A1 (0.40) TSHRTHRBTDP1ALDH1A1LMNA
SCHEMBL6669913 0.79 TSHR (0.40) TSHRCA2CA1THRBALDH1A1

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