SCHEMBL7673635

SCHEMBL7673635

O=C(O)COOC(=O)COO

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CTH P32929 1/20 0.36
CBS P35520 1/20 0.36
THPO P40225 1/20 0.36
THRB P10828 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
SCHEMBL11342641 0.82 TSHR (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL11342643 0.80 TSHR (0.36) TSHRCTHCBSTHPOTHRB
SCHEMBL94603 0.79 TSHR (0.39) TSHRCTHCBSTHPOTHRB
SCHEMBL4323705 0.79 TSHR (0.39) TSHRCTHCBSTHPOTHRB
SCHEMBL4323713 0.77 LDHA (0.40) TSHRCTHCBSTHPOTHRB
SCHEMBL11684398 0.75 LDHA (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL94605 0.75 LMNA (0.45) TSHRCTHCBSTHPOTHRB
SCHEMBL568585 0.74
SCHEMBL11393555 0.73 LMNA (0.43) TSHRCTHCBSTHPOTHRB
SCHEMBL11544042 0.73 LMNA (0.43) TSHRCTHCBSTHPOTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102276684-B Preparation method of eplerenone and intermediate thereof SHANGHAI INST MATERIA MEDICA 2013-04-10 CN claimed
CN-102276684-A Preparation method of eplerenone and intermediate thereof 2011-12-14 CN claimed
CN-117843470-A Stearate synthesis method 江苏极易新材料有限公司 2024-04-09 CN disclosed
CN-115161072-A Method for oxidizing, extracting and desulfurizing wax oil in microchannel reactor 中国石油化工股份有限公司 2022-10-11 CN disclosed
CN-102276684-B Preparation method of eplerenone and intermediate thereof SHANGHAI INST MATERIA MEDICA 2013-04-10 CN disclosed
CN-102276684-A Preparation method of eplerenone and intermediate thereof 2011-12-14 CN disclosed
US-6420314-B1 GRIGNARD ARYLATION OF A 3-FLUOROPYRIDINE; DESICCANTS, DEFOLIANTS; SELECTIVITY; ACTING AGAINST BROAD-LEAF AND GRASS WEEDS IN CROPS SUCH AS WHEAT, RICE, MAIZE, SOYA AND COTTON BASF AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-6191280-B1 REACTING SUBSTITUTED 2-HALOPYRIDINE DERIVATIVE WITH A THIO COMPOUND IN PRESENCE OF COPPER CATALYST TO GIVE A PYRIDINE THIOETHER, AND THEN OXIDIZING THE THIOETHER INTERMEDIATE TO FORM SULFOXIDE OR SULFONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
CN-1284143-A Treatment of fabrics ICI PLC (GB) 2001-02-14 CN disclosed
EP-1051550-A1 TREATMENT OF FABRICS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2000-11-15 EP disclosed
US-6124469-A Process for preparing sulphurous 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-benzoic acids BASF AKTIENGESELLSCHAFT (DE) 2000-09-26 US disclosed
WO-1999039040-A1 TREATMENT OF FABRICS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1999-08-05 WO disclosed
US-4051199-A EPOXIDIZED COPOLYMERS OF STYRENE, BUTADIENE AND ISOPRENE PHILLIPS PETROLEUM COMPANY (US) 1977-09-27 US disclosed