SCHEMBL6735101

SCHEMBL6735101

O=C(O)c1cc(Cl)c(C(=O)O)c2c(C(=O)OC(=O)c3c(Cl)cc(C(=O)O)c4c(C(=O)O)cc(Cl)c(C(=O)O)c34)c(Cl)cc(C(=O)O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL6738393 0.95 ALDH1A1 (0.37) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL30254 0.89 CYP1A2 (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL29764032 0.89 CYP1A2 (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL29764017 0.82 ALDH1A1 (0.45) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL24455 0.82 ALDH1A1 (0.45) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL31401887 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL3815003 0.80 CYP3A4 (0.39) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL1204591 0.79 CYP1A2 (0.56) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL705877 0.74 DPP4 (0.35) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL1456160 0.72 ALDH1A1 (0.50) ALDH1A1TSHRTP53CASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023369-B Process for preparing TDI based polyurethane flexible foams containing organic acid anhydrides and/or organic acid chlorides 科思创德国股份有限公司 2022-03-18 CN disclosed
US-20200079895-A1 METHOD FOR PRODUCING TDI-BASED FLEXIBLE POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES COVESTRO DEUTSCHLAND AG (DE) 2020-03-12 US disclosed
US-20040209969-A1 Polyisocyanate polyaddition products ARLT ANDREAS 2004-10-21 US disclosed
US-6800667-B1 CATALYTIC CONDENSATION POLYMERIZATION OF POLYURETHANE FOAM USING ORGANIC AMINE OR METAL COMPOUND IN PRESENCE OF UNREACTED ACID ANHYDRIDE; MATTRESSES, UPHOLSTERY, OR CARPETS BASF CORPORATION 2004-10-05 US disclosed
US-6794421-B2 comprising hydrophobic compounds plus at least one further compound and/or derivative thereof reactive toward primary amines, compound being selected from cyclic sulfonic esters and sulfones and mixtures thereof BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-6183869-B1 HEAT RESISTANT RESIN, FLUORORESIN AND COUPLER WITH PRIMER FOR MULTILAYER ELEMENT FUJI XEROX CO., LTD. (JP) 2001-02-06 US disclosed