SCHEMBL9625864

SCHEMBL9625864

CCCCCC(C)(C)OOC(C)(C)OOC(C)(C)CCCCC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
SMPD1 P17405 3/20 0.32
FDPS P14324 11/20 0.32
GGPS1 O95749 7/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL297925 0.92 TSHR (0.39) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL9576868 0.90 TSHR (0.44) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL9625652 0.90 TSHR (0.37) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL7445172 0.90 TSHR (0.44) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL9850241 0.85 TSHR (0.38) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL8901964 0.85 TSHR (0.40) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL8039291 0.84 TSHR (0.35) TSHRTHRBFDPS
SCHEMBL23152664 0.83 TSHR (0.38) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL8056144 0.83 TSHR (0.38) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL3677688 0.83 TSHR (0.38) TSHRTHRBSMPD1FDPSGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0068510-B1 THERMOSETTING MOLDING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1987-09-09 EP claimed
US-4404319-A UNSATURATED POLYESTER, MALEIC ANHYDRIDE, UNSATD COMPOUND, CURABLE UNION CARBIDE CORPORATION (US) 1983-09-13 US claimed
EP-0068510-A2 Thermosetting molding compositions UNION CARBIDE CORPORATION (US) 1983-01-05 EP claimed
US-3950432-A Di- and tetra-(peroxy)ketals and acetals and improved curing and polymerizing process employing same PENNWALT CORPORATION (US) 1976-04-13 US claimed
EP-0273090-B1 SOLUTION POLYMERIZATION OF ACRYLIC ACID DERIVED MONOMERS USING TERTIARY ALKYL( C5)-HYDROPEROXIDES ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1992-03-18 EP disclosed
US-4777230-A HIGH SOLID COATINGS PENNWALT CORPORATION (US) 1988-10-11 US disclosed
EP-0273090-A1 Solution polymerization of acrylic acid derived monomers using tertiary alkyl( C5)-hydroperoxides ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1988-07-06 EP disclosed
EP-0068510-B1 THERMOSETTING MOLDING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1987-09-09 EP disclosed
US-4673694-A STYRENE ATLANTIC RICHFIELD COMPANY (US) 1987-06-16 US disclosed
US-4663357-A Higher molecular weight thermoplastics having multimodal molecular weight distribution ATLANTIC RICHFIELD COMPANY (US) 1987-05-05 US disclosed
US-3950432-A Di- and tetra-(peroxy)ketals and acetals and improved curing and polymerizing process employing same PENNWALT CORPORATION (US) 1976-04-13 US disclosed