SCHEMBL2776814

SCHEMBL2776814

Cc1ccc(OP(=O)(OCl)Oc2ccc(C)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.75
TSHR P16473 2/20 0.75
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 1/20 0.41
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.38

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
SCHEMBL3756384 0.96 CYP3A4 (0.75) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL5851924 0.92 CYP3A4 (0.64) CYP3A4TSHRALDH1A1TDP1MEN1
SCHEMBL21582 0.86 TSHR (1.00) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL27371282 0.86 TSHR (1.00) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL10336991 0.86 TSHR (1.00) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL131412 0.86 TSHR (1.00) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL27393883 0.86 TSHR (1.00) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL8331868 0.84 TSHR (0.95) CYP3A4TSHRALDH1A1MAPK1TDP1
Water SCHEMBL29287558 0.84 TSHR (0.95) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL9785893 0.84 CYP3A4 (0.95) CYP3A4TSHRALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7854774-B2 Fuel components, fuel compositions and methods of making and using same AMYRIS BIOTECHNOLOGIES, INC. (US) 2010-12-21 US disclosed
EP-2038530-A2 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME Amyris Biotechnologies, Inc. (US) 2009-03-25 EP disclosed
US-7439289-B2 Benzoylresorcinol-based phosphate ester compounds as flame retardants INDSPEC CHEMICAL CORPORATION (US) 2008-10-21 US disclosed
US-7365113-B2 Phosphate ester flame retardants from resorcinol-ketone reaction products INDSPEC CHEMICAL CORPORATION 2008-04-29 US disclosed
US-20080092829-A1 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME AMYRIS BIOTECHNOLOGIES, INC. (US) 2008-04-24 US disclosed
WO-2007139925-A2 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME AMYRIS BIOTECHNOLOGIES, INC. (US) 2007-12-06 WO disclosed
US-7279515-B2 Resorcinol carbonate-based phosphate ester compounds as flame retardants INDSPEC CHEMICAL CORPORATION 2007-10-09 US disclosed
EP-1797055-A2 PHOSPHATE ESTER FLAME RETRADANTS FROM RESORCINOL-KETONE REACTION PRODUCTS INDSPEC CHEMICAL CORPORATION (US) 2007-06-20 EP disclosed
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
WO-2006036891-A2 BENZOYLRESORCINOL-BASED PHOSPHATE ESTER COMPOUDS AS FLAME RETARDANTS INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
WO-2006036880-A2 PHOSPHATE ESTER FLAME RETRADANTS FROM RESORCINOL-KETONE REACTION PRODUCTS INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
WO-2006036881-A2 RESORCINOL CARBONATE-BASED PHOSPHATE ESTER COMPOUNDS AS FLAME RETARDANTS INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
US-20060063866-A1 Resorcinol carbonate-based phosphate ester compounds as flame retardants INDSPEC CHEMICAL CORPORATION (US) 2006-03-23 US disclosed
US-20060063865-A1 Benzoylresorcinol-based phosphate ester compounds as flame retardants INDSPEC CHEMICAL CORPORATION (US) 2006-03-23 US disclosed
US-20060063867-A1 Phosphate ester flame retardants from resorcinol-ketone reaction products INDSPEC CHEMICAL CORPORATION (US) 2006-03-23 US 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