SCHEMBL1422129

SCHEMBL1422129

CCOC(=O)C(Cl)CO

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
SCHEMBL2855507 0.82 ALDH1A1 (0.46)
SCHEMBL10571663 0.82
SCHEMBL5613333 0.82
SCHEMBL30829428 0.82
SCHEMBL2868181 0.82 ALDH1A1 (0.46)
SCHEMBL7662336 0.80
SCHEMBL11148340 0.80 ALDH1A1 (0.43)
SCHEMBL7889814 0.80
SCHEMBL8149342 0.78 ALDH1A1 (0.42)
SCHEMBL2858639 0.78 CPB2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US claimed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP claimed
US-5155043-A Assymetric hydrolysis of halohydrin-containing esters or carboxylic acids with specific microorganisms IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-10-13 US claimed
CN-109810795-B Polyether surfactant, synthetic method thereof and neutral cleaning agent 深圳市道尔顿电子材料有限公司 2021-03-26 CN disclosed
CN-109810795-A Polyethet surfactant and its synthetic method and neutral cleaners 深圳市道尔顿电子材料有限公司 2019-05-28 CN disclosed
EP-2725022-B1 New amides as pest control agents BAYER CROPSCIENCE AG (DE) 2017-03-29 EP disclosed
EP-2725022-B1 New amides as pest control agents BAYER CROPSCIENCE AG (DE) 2017-03-29 EP disclosed
US-20160316755-A1 Novel Heteroaromatic Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2016-11-03 US disclosed
US-20160316755-A1 Novel Heteroaromatic Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2016-11-03 US disclosed
US-9428487-B2 Heteroaromatic amides and thioamides as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-30 US disclosed
US-9428487-B2 Heteroaromatic amides and thioamides as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-30 US disclosed
EP-2297130-A1 NOVEL HETEROAROMATIC AMIDES AND THIOAMIDES AS PESTICIDES Bayer CropScience AG (DE) 2011-03-23 EP disclosed
WO-2009149858-A1 NOVEL HETEROAROMATIC AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2009-12-17 WO disclosed
WO-2009149858-A1 NOVEL HETEROAROMATIC AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2009-12-17 WO disclosed
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US disclosed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP disclosed
US-5155043-A Assymetric hydrolysis of halohydrin-containing esters or carboxylic acids with specific microorganisms IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-10-13 US disclosed
EP-0391345-A2 Method for preparing optically active substances IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-10 EP disclosed
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 EP disclosed