SCHEMBL6735181

SCHEMBL6735181

CC1=C2C(=C(C)CC(C(=O)O)C2C(=O)O)C(C(=O)OC(=O)C2C3=C(C)CC(C(=O)O)C(C(=O)O)C3=C(C)CC2C(=O)O)C(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
HTT P42858 2/20 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
SCHEMBL126022 0.89 ALDH1A1 (0.38) POLBALDH1A1LMNAKMT2ATSHR
SCHEMBL11263463 0.84
SCHEMBL11263456 0.80 ALDH1A1 (0.33) POLBALDH1A1LMNAKMT2ATSHR
SCHEMBL7285333 0.75 KMT2A (0.42) POLBALDH1A1LMNAKMT2ATSHR
SCHEMBL9004812 0.75 KMT2A (0.42) POLBALDH1A1LMNAKMT2ATSHR
SCHEMBL27709934 0.72 ALDH1A1 (0.38) POLBALDH1A1LMNAKMT2ATSHR
SCHEMBL7893064 0.71 ALDH1A1 (0.33) POLBALDH1A1LMNA
SCHEMBL6735183 0.70 POLB (0.31) POLBTSHR
SCHEMBL9004833 0.69 TAAR1 (0.49) POLBALDH1A1LMNAKMT2ATSHR
SCHEMBL7489573 0.69 TAAR1 (0.49) POLBALDH1A1LMNAKMT2ATSHR

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 7 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
EP-3548534-A1 METHOD FOR PRODUCING TDI-BASED FLEXIBLE POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES Covestro Deutschland AG (DE) 2019-10-09 EP 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