SCHEMBL4616449

SCHEMBL4616449

CCCCCCCCCCCCCCCCCCOC(=O)NC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 1.00
ACHE P22303 12/20 0.62
NAAA Q02083 1/20 0.57
TSHR P16473 2/20 0.52
FAAH O00519 1/20 0.52

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
SCHEMBL11653539 1.00 EPHX1 (1.00) EPHX1ACHENAAATSHRFAAH
SCHEMBL1894163 1.00 EPHX1 (1.00) EPHX1ACHENAAATSHRFAAH
SCHEMBL12195976 1.00 EPHX1 (1.00) EPHX1ACHENAAATSHRFAAH
SCHEMBL12635224 1.00 EPHX1 (1.00) EPHX1ACHENAAATSHRFAAH
SCHEMBL11319803 1.00 EPHX1 (1.00) EPHX1ACHENAAATSHRFAAH
SCHEMBL10816925 1.00 EPHX1 (1.00) EPHX1ACHENAAATSHRFAAH
SCHEMBL1170169 0.98 EPHX1 (0.96) EPHX1ACHENAAA
SCHEMBL19879549 0.94 EPHX1 (0.89) EPHX1ACHENAAATSHRFAAH
Acetic Acid SCHEMBL4300713 0.94 EPHX1 (0.89) EPHX1ACHENAAATSHRFAAH
SCHEMBL968307 0.91

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-103687847-B The manufacturing method of isocyanate compound 宇部兴产株式会社 2019-04-02 CN disclosed
EP-2518044-B1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS INC (JP) 2016-04-13 EP disclosed
CN-103391813-B Isocyanate compound catalyst for producing and use the manufacture method of isocyanate compound of this catalyst UBE INDUSTRIES, LTD. (JP) 2016-04-13 CN disclosed
CN-105263618-A Solid catalyst, and method for producing isocyanate compound using said solid catalyst UBE INDUSTRIES 2016-01-20 CN disclosed
CN-102652124-B Method for treatment of isocyanate residue, and method for treatment of carbonate MITSU CHEMICALS INC 2015-05-13 CN disclosed
US-9000219-B2 Method for treatment of isocyanate residue, and method for treatment of carbonate MITSUI CHEMICALS, INC. (JP) 2015-04-07 US disclosed
CN-103687847-A Method for producing isocyanate compound UBE INDUSTRIES 2014-03-26 CN disclosed
CN-103391813-A Catalyst for isocyanate compound production and method for producing isocyanate compound using same UBE INDUSTRIES 2013-11-13 CN disclosed
EP-2518044-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE Mitsui Chemicals, Inc. (JP) 2012-10-31 EP disclosed
US-20120271067-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS, INC. 2012-10-25 US disclosed
CN-102652124-A Method for treatment of isocyanate residue, and method for treatment of carbonate MITSUI CHEMICALS INC 2012-08-29 CN disclosed
EP-1879856-A2 ALKYL-, ALKENYL- AND ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-01-23 EP disclosed
WO-2006117461-A2 ALKYL-, ALKENYL- ET ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-11-09 WO disclosed