SCHEMBL128581

SCHEMBL128581

[CH2]C(CC)OC(=O)CC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL11468024 0.81
SCHEMBL128254 0.81 ALDH1A1 (0.48)
SCHEMBL2984658 0.79 MGAM (0.46)
SCHEMBL6636355 0.79
SCHEMBL27438161 0.79 MEN1 (0.38)
SCHEMBL8421641 0.79 NAAA (0.38)
SCHEMBL10540435 0.79
SCHEMBL7378418 0.79 ALDH1A1 (0.40)
SCHEMBL127835 0.77
SCHEMBL4787298 0.77

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960873-A 3-pyridylisothiazoleazo compounds useful as disperse dyes BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US claimed
CN-110268031-A Powdery composition for 6-valent chromium treatment, tablet, and method for producing leather 西铁城时计株式会社 2019-09-20 CN disclosed
CN-106661638-A Leather or leather article and method for producing same, hexavalent chromium treatment agent, method for treating hexavalent chromium in crude leather or crude leather article 西铁城时计株式会社 2017-05-10 CN disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
EP-0460463-B1 Use of azo dyes in thermal transfer printing BASF AG (DE) 1994-12-14 EP disclosed
EP-0428930-B1 Thiazolazo dye-stuffs BASF AG (DE) 1994-09-07 EP disclosed
EP-0344487-B1 Azo dyes of the 5-aminoisothiazole series BASF AG (DE) 1993-12-29 EP disclosed
US-5200386-A Heating to deffuse from transfer sheet to plastic-coated substrate BASF AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed
EP-0335234-B1 AZO ISOATHIAZOLE DYES BASF Aktiengesellschaft (DE) 1992-12-09 EP disclosed
EP-0460463-A1 Use of azo dyes in thermal transfer printing BASF Aktiengesellschaft (DE) 1991-12-11 EP disclosed
EP-0428930-A1 Thiazolazo dye-stuffs BASF Aktiengesellschaft (DE) 1991-05-29 EP disclosed
US-4960873-A 3-pyridylisothiazoleazo compounds useful as disperse dyes BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0344487-A2 Azo dyes of the 5-aminoisothiazole series BASF Aktiengesellschaft (DE) 1989-12-06 EP disclosed
EP-0335234-A2 Azo isoathiazole dyes BASF Aktiengesellschaft (DE) 1989-10-04 EP disclosed
EP-0109937-B1 COLOUR-PHOTOGRAPHIC RECORDING MATERIAL CIBA-GEIGY AG (CH) 1988-01-20 EP disclosed
EP-0109937-A2 Colour-photographic recording material CIBA-GEIGY AG (CH) 1984-05-30 EP disclosed
US-4012390-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1977-03-15 US disclosed