⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10720332 | 0.95 | — | — | |
| Propane SCHEMBL16634819 | 0.87 | — | — | |
| SCHEMBL50321 | 0.67 | — | — | |
| SCHEMBL60898 | 0.59 | — | — | |
| SCHEMBL2252727 | 0.59 | — | — | |
| SCHEMBL16037462 | 0.59 | ALDH1A1 (1.00) | — | |
| Water SCHEMBL27883112 | 0.59 | — | — | |
| SCHEMBL56391 | 0.59 | — | — | |
| SCHEMBL1078946 | 0.59 | ALDH1A1 (0.46) | — | |
| SCHEMBL2639 | 0.56 | — | — |
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 630 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113999138-B | Method for rapidly synthesizing citral by using methyl heptenone | 万华化学集团股份有限公司 | 2023-09-19 | — | — | CN | claimed |
| CN-116351341-A | Method for continuously preparing sulfonyl chloride compound by utilizing micro-reaction device | 盐城工学院 | 2023-06-30 | — | — | CN | claimed |
| CN-113999138-A | Method for rapidly synthesizing citral from methylheptenone | 万华化学集团股份有限公司 | 2022-02-01 | — | — | CN | claimed |
| CN-108882704-B | Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules | 美国陶氏益农公司 | 2021-09-10 | — | — | CN | claimed |
| EP-3342767-B1 | PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARM INC (US) | 2021-04-14 | — | — | EP | claimed |
| US-10689372-B2 | Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto | ARENA PHARMACEUTICALS, INC. (US) | 2020-06-23 | — | — | US | claimed |
| US-20190270731-A1 | PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. | 2019-09-05 | — | — | US | claimed |
| US-10208059-B2 | Heterocyclic modulators of HIF activity for treatment of disease | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2019-02-19 | — | — | US | claimed |
| EP-2888255-B1 | HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE | UNIV TEXAS (US) | 2018-07-18 | — | — | EP | claimed |
| EP-3342767-A1 | PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2018-07-04 | — | — | EP | 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 |
| US-4359429-A | Mercaptoacetonitrile synthesis | W. R. GRACE & CO. (US) | 1982-11-16 | — | — | US | claimed |
| US-4341795-A | PESTICIDES; INSECTICIDES; MITICIDES | UNION CARBIDE CORPORATION (US) | 1982-07-27 | — | — | US | claimed |
| EP-0051381-A1 | O-sulfated beta-lactam hydroxamic acids | E.R. Squibb & Sons, Inc. (US) | 1982-05-12 | — | — | EP | claimed |
| EP-0048953-A2 | Beta-lactam antibiotics | E.R. Squibb & Sons, Inc. (US) | 1982-04-07 | — | — | EP | claimed |
| EP-0047014-A2 | Novel thioesters and process for the preparation of the same | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1982-03-10 | — | — | EP | claimed |
| EP-0033241-A2 | Pharmaceutical compositions for rectal administration | Takeda Chemical Industries, Ltd. (JP) | 1981-08-05 | — | — | EP | claimed |
| US-4225706-A | Polychalcogen ester of cephem compound, process for preparing the same and method for removing the protective group of the same | MEIJI SEIKA KAISHA LTD. (JP) | 1980-09-30 | — | — | US | claimed |
| US-4139618-A | Cephalosporin type antibacterials | SYNTEX (U.S.A.) INC. (US) | 1979-02-13 | — | — | US | claimed |
| US-4051129-A | REACTION OF BENZYLIDENIMINO GROUP WITH HYDRAZINE, AMIDATION | SANKYO COMPANY LIMITED (JA) | 1977-09-27 | — | — | US | claimed |