SCHEMBL5850665

SCHEMBL5850665

CCC(C)(C)c1cc(CCC(=O)O)cc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
FFAR4 Q5NUL3 7/20 0.38
MEN1 O00255 1/20 0.38
FFAR1 O14842 7/20 0.37
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
KEAP1 Q14145 1/20 0.36

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
SCHEMBL10556414 0.91 GAA (0.49) GAAKMT2ANPSR1THRATHRB
SCHEMBL5850773 0.89 MAPT (0.42) GAAKMT2A
SCHEMBL7794926 0.87 GAA (0.40) GAAKMT2ANPSR1THRATHRB
SCHEMBL8407058 0.87 GAA (0.43) GAAKMT2AMEN1HMGB1CXCL12
SCHEMBL7796618 0.87 GAA (0.56) GAAKMT2ANPSR1RXRARXRB
SCHEMBL29387462 0.86 GAA (0.55) GAAKMT2ANPSR1THRATHRB
SCHEMBL39866 0.86 GAA (0.55) GAAKMT2ANPSR1THRATHRB
Hydrogen Peroxide SCHEMBL28104512 0.86 GAA (0.55) GAAKMT2ANPSR1THRATHRB
SCHEMBL7796395 0.85 HSPA5 (0.43) GAAKMT2ANPSR1THRATHRB
Alcohol SCHEMBL28097895 0.85 GAA (0.51) GAAKMT2ANPSR1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153901-B2 Low viscosity flame retardants are the reaction product of a mixed ester of tetrabromophthalic acid with diethylene glycol and propylene glycol with an acid anhydride, organic phosphate, or organic chlorophosphate; minimizing visible scorching of the flexible polyurethane foam during its production ALBEMARLE CORPORATION (US) 2006-12-26 US disclosed
EP-1685176-A2 FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES ALBEMARLE CORPORATION (US) 2006-08-02 EP disclosed
EP-1597297-A1 FLAME RETARDANT POLYURETHANES AND ADDITIVE COMPOSITIONS FOR USE IN PRODUCING THEM ALBEMARLE CORPORATION (US) 2005-11-23 EP disclosed
WO-2005052018-A2 FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES ALBEMARLE CORPORATION (US) 2005-06-09 WO disclosed
US-20050113495-A1 Flame retardant, additive compositions, and flame retardant polyurethanes ALBEMARLE CORPORATION 2005-05-26 US disclosed
WO-2004078817-A1 FLAME RETARDANT POLYURETHANES AND ADDITIVE COMPOSITIONS FOR USE IN PRODUCING THEM ALBEMARLE CORPORATION (US) 2004-09-16 WO disclosed
US-20040171722-A1 Flame retardant polyurethanes and additive compositions for use in producing them ALBEMARLE CORPORATION 2004-09-02 US disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed