SCHEMBL992161

SCHEMBL992161

C[CH][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
Propene SCHEMBL7112693 0.67
SCHEMBL229109 0.67
SCHEMBL162543 0.67
SCHEMBL7085373 0.67
Acetaldehyde SCHEMBL43901 0.67
SCHEMBL7053562 0.67
SCHEMBL30059 0.67
Propene SCHEMBL8370600 0.63
Ammonia Solution, Strong SCHEMBL821654 0.63
SCHEMBL23150482 0.60 TSHR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117320553-A Herbicide/safener combinations based on substituted [ (1,5-diphenyl-1H-1,2,4-triazol-3-yl) oxy ] acetic acid and its salt safeners 拜耳公司 2023-12-29 CN claimed
CN-116867372-A [ (5-phenyl-1-heteroaryl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-10-10 CN claimed
CN-116761510-A Use of [ (1, 5-diphenyl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives and salts thereof and compositions containing them for reducing the phytotoxic effect of agrochemicals, in particular herbicides, on useful plants and crops 拜耳公司 2023-09-15 CN claimed
CN-116745285-A [ (1-phenyl-5- (heteroaryl) -1H-1,2, 4-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-09-12 CN claimed
CN-116709916-A [ (1-phenyl-5-heteroaryl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-09-05 CN claimed
CN-116568136-A [ (5-phenyl-1-heteroaryl-1H-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-08-08 CN claimed
CN-116528674-A [ (1, 5-bis (heteroaryl) -1H-1,2, 4-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-08-01 CN claimed
CN-117320553-A Herbicide/safener combinations based on substituted [ (1,5-diphenyl-1H-1,2,4-triazol-3-yl) oxy ] acetic acid and its salt safeners 拜耳公司 2023-12-29 CN disclosed
CN-116867372-A [ (5-phenyl-1-heteroaryl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-10-10 CN disclosed
CN-116761510-A Use of [ (1, 5-diphenyl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives and salts thereof and compositions containing them for reducing the phytotoxic effect of agrochemicals, in particular herbicides, on useful plants and crops 拜耳公司 2023-09-15 CN disclosed
CN-116745285-A [ (1-phenyl-5- (heteroaryl) -1H-1,2, 4-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-09-12 CN disclosed
CN-116709916-A [ (1-phenyl-5-heteroaryl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-09-05 CN disclosed
CN-116568136-A [ (5-phenyl-1-heteroaryl-1H-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-08-08 CN disclosed
US-6211178-B1 ANTIPROTOZOA AGENTS FOR COCCIDIOIDES; CYCLIZATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
US-5994355-A ANTIPROTOZOA AGENTS, PARASITICIDE; VETERINARY MEDICINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed
US-3959296-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed