SCHEMBL8954347

SCHEMBL8954347

CC(C)OCC[C]=O

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
SCHEMBL28175310 0.84
SCHEMBL5258376 0.82 ALDH1A1 (0.36)
SCHEMBL4915033 0.80 ALDH1A1 (0.35)
SCHEMBL2387417 0.77
SCHEMBL641736 0.72
SCHEMBL10136489 0.72
SCHEMBL544750 0.71 LMNA (0.35)
SCHEMBL28310143 0.71 LMNA (0.35)
SCHEMBL921726 0.71
SCHEMBL5147150 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-10-07 US disclosed
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-07 US disclosed
EP-3828176-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2021-06-02 EP disclosed
US-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2020-08-27 US disclosed
WO-2020022350-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT 北興化学工業株式会社 2020-01-30 WO disclosed
CN-102186346-B Comprise the weeding conjugate of the difluoro methylsulfonylphenylamine replaced by dimethoxy-triazine base 拜耳知识产权有限责任公司 2016-09-21 CN disclosed
US-20160145242-A1 PHENYLIMIDAZOLE DERIVATIVE, AND THERAPEUTIC MEDICINE OR PREVENTIVE MEDICINE FOR INFLAMMATORY DISEASE, ETC. NIPPON SODA CO., LTD. (JP) 2016-05-26 US disclosed
EP-2998298-A1 PHENYLIMIDAZOLE DERIVATIVE, AND THERAPEUTIC MEDICINE OR PREVENTIVE MEDICINE FOR INFLAMMATORY DISEASE, ETC. Nippon Soda Co., Ltd. (JP) 2016-03-23 EP disclosed
US-5556829-A AMIDES, SULFONAMIDES, PHOSPHOAMIDES, AGRICULTURAL USE ZAMBON GROUP S.P.A. (IT) 1996-09-17 US disclosed
EP-0454067-B1 Compositions having herbicidal activity containing N-Alkyl-amides as active ingredient ZAMBON SPA (IT) 1995-09-27 EP disclosed
US-5336664-A Compositions having herbicidal activity containing N-alkyl-amides as active ingredient ZAMBON GROUP S.P.A. (IT) 1994-08-09 US disclosed
EP-0454067-A1 Compositions having herbicidal activity containing N-Alkyl-amides as active ingredient ZAMBON GROUP S.p.A. (IT) 1991-10-30 EP disclosed