⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL723133 | 0.75 | — | — | |
| SCHEMBL11973903 | 0.75 | — | — | |
| Ethylene SCHEMBL27278693 | 0.73 | — | — | |
| SCHEMBL7853496 | 0.73 | — | — | |
| Diallylsulfone SCHEMBL9518459 | 0.71 | CA2 (0.31) | — | |
| Water SCHEMBL27850410 | 0.71 | — | — | |
| SCHEMBL721212 | 0.71 | — | — | |
| SCHEMBL7567079 | 0.71 | — | — | |
| Diallylsulfone SCHEMBL9947 | 0.67 | — | — | |
| SCHEMBL2016950 | 0.67 | CA2 (0.32) | — |
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 657 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11339120-B2 | Phenyl derivatives as cannabinoid receptor 2 agonists | HOFFMANN-LA ROCHE INC. (US) | 2022-05-24 | — | — | US | claimed |
| CN-108024537-A | Aryloxy group pyrimidine radicals ether as herbicide | 纳幕尔杜邦公司 | 2018-05-11 | — | — | CN | claimed |
| US-20180079730-A1 | ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES | SHIFA BIOMEDICAL CORP (US) | 2018-03-22 | — | — | US | claimed |
| CN-107428694-A | Antifungal pyrazoles | 杜邦公司 | 2017-12-01 | — | — | CN | claimed |
| CN-107406443-A | Bicyclic compounds as pest control agents | 拜耳作物科学股份公司 | 2017-11-28 | — | — | CN | claimed |
| CN-107207466-A | Bicyclic compounds as pest control agents | 拜耳作物科学股份公司 | 2017-09-26 | — | — | CN | claimed |
| CN-107207490-A | Bicyclic compounds as pest control agents | 拜耳作物科学股份公司 | 2017-09-26 | — | — | CN | claimed |
| CN-107207497-A | Bicyclic compounds as pest control agents | 拜耳作物科学股份公司 | 2017-09-26 | — | — | CN | claimed |
| EP-2970174-B1 | FUSED FURANS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2017-05-03 | — | — | EP | claimed |
| CN-106458925-A | Fungicidal pyrazoles | 杜邦公司 | 2017-02-22 | — | — | CN | claimed |
| CN-86107544-A | The preparation method of flavone derivative | — | 1987-11-25 | — | — | CN | claimed |
| CN-87100878-A | Pyridazinone derivative and preparation thereof and kill insect, kill mite, nematicide, Fungicidal formulations | — | 1987-09-23 | — | — | CN | claimed |
| CN-85105721-A | Weedicide 2-aryl-1,2, and 4-triazine-3,5 (2H, 4H)-diketone and sulfur containing analogs thereof | — | 1987-09-02 | — | — | CN | claimed |
| CN-86100279-A | The method for preparing the Pyridopyrimidine compounds | — | 1986-11-19 | — | — | CN | claimed |
| CN-85105723-A | Herbicidal compositions containing 1-aryl-4-substituted-1, 4-dihydro-5H-tetrazol-5-ones and their sulfur analogs | — | 1986-05-10 | — | — | CN | claimed |
| US-4413007-A | INSECTICIDES, MITICIDES, NEMATOCIDES, OXIME AND BIS-(FLUOROCARBONYLAMINO) DISULFIDE REACTANTS | UNION CARBIDE CORPORATION (US) | 1983-11-01 | — | — | US | claimed |
| EP-0079467-A1 | N-substituted O-pyrazol-4-yl-carbamic-acid esters, process for their preparation and their use as biocides | BAYER AG (DE) | 1983-05-25 | — | — | EP | claimed |
| EP-0017110-B1 | N-DICHLOROACETYL-N-PHENYL-ALANIN(THIOL) ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1983-05-04 | — | — | EP | claimed |
| EP-0017850-B1 | N,N-DISUBSTITUTED ETHYLGLYCINE ESTERS, THEIR PREPARATION AND USE, FUNGICIDES CONTAINING THEM AND THEIR PREPARATION | BAYER AG (DE) | 1982-12-08 | — | — | EP | claimed |
| WO-1982000402-A1 | HERBICIDAL AND PLANT GROWTH REGULANT DIPHENYLPYRIDAZINONES | DIAMOND SHAMROCK CORP (US) | 1982-02-18 | — | — | WO | claimed |