SCHEMBL128269

SCHEMBL128269

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

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
SCHEMBL2166895 0.80
SCHEMBL24072865 0.78 SMN1; SMN2 (0.46)
SCHEMBL1557617 0.78 SMN1; SMN2 (0.46)
SCHEMBL7105090 0.78 SMN1; SMN2 (0.46)
SCHEMBL284761 0.77 SMN1; SMN2 (0.41)
SCHEMBL12764098 0.77 SMN1; SMN2 (0.41)
SCHEMBL127893 0.77
SCHEMBL127947 0.77 TSHR (0.42)
SCHEMBL2909414 0.76
Methyl 2-Methylbutanoate SCHEMBL108113 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125434-A1 METHOD FOR PRODUCING MONOSULFOXIDE DERIVATIVE KUMIAI CHEMICAL INDUSTRY CO. LTD. (JP) 2023-04-27 US disclosed
EP-4144723-A1 METHOD FOR PRODUCING MONOSULFOXIDE DERIVATIVE Kumiai Chemical Industry Co., Ltd. (JP) 2023-03-08 EP disclosed
CN-115461324-A Process for producing monosulfoxide derivative 组合化学工业株式会社 2022-12-09 CN disclosed
EP-3424903-B1 METHOD FOR PRODUCING SULFOXIDE DERIVATIVE KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-09-29 EP disclosed
CN-108779067-B Process for producing sulfoxide derivative 组合化学工业株式会社 2020-07-14 CN disclosed
US-10577313-B2 Method for producing sulfoxide derivative KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-03-03 US disclosed
EP-3424903-A1 METHOD FOR PRODUCING SULFOXIDE DERIVATIVE Kumiai Chemical Industry Co., Ltd. (JP) 2019-01-09 EP disclosed
CN-108779067-A The preparation method of sulfoxide derivant 组合化学工业株式会社 2018-11-09 CN disclosed
US-9386771-B2 Plant disease control composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-12 US disclosed
US-9288985-B2 Plant disease control composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-22 US disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4143228-A RED SHADES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed
US-4000141-A SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed