SCHEMBL4987074

SCHEMBL4987074

Cc1cc(C)cc(OP(=O)(OCl)Oc2cc(C)cc(C)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.75
TSHR P16473 2/20 0.75
ALDH1A1 P00352 2/20 0.75
MAPK1 P28482 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
INPPL1 O15357 1/20 0.34
INPP5A Q14642 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL332850 0.86 CYP3A4 (1.00) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL14047519 0.80 CYP3A4 (0.78) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL2608371 0.80 CYP3A4 (0.86) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL2776814 0.78 CYP3A4 (0.75) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL28209128 0.77 ALDH1A1 (0.67) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL4987063 0.77 ALDH1A1 (0.67) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL7163824 0.77 CYP3A4 (0.43) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL27042302 0.75 TSHR (0.69) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL14204635 0.75 ALDH1A1 (0.70) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL3756384 0.74 CYP3A4 (0.75) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
WO-2006036891-A2 BENZOYLRESORCINOL-BASED PHOSPHATE ESTER COMPOUDS 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-20060063867-A1 Phosphate ester flame retardants from resorcinol-ketone reaction products 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
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