⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2059535 | 0.81 | TP53 (0.35) | — | |
| SCHEMBL2234110 | 0.79 | CES1 (0.47) | — | |
| SCHEMBL18985177 | 0.79 | CES1 (0.47) | — | |
| SCHEMBL525632 | 0.79 | — | — | |
| SCHEMBL3929950 | 0.79 | CES1 (0.47) | — | |
| SCHEMBL1193666 | 0.79 | CES1 (0.47) | — | |
| SCHEMBL17185615 | 0.73 | — | — | |
| SCHEMBL6327516 | 0.73 | — | — | |
| SCHEMBL10420256 | 0.73 | CES1 (0.43) | — | |
| SCHEMBL17725999 | 0.73 | — | — |
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 1466 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113979869-B | Difluoro benzylation reagent and preparation method and application thereof | 赣南师范大学 | 2024-04-30 | — | — | CN | claimed |
| EP-3704097-B1 | BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2023-10-25 | — | — | EP | claimed |
| CN-111683930-B | Novel isoxazole compound or salt thereof | 日本欧爱特农业科技株式会社 | 2023-06-27 | — | — | CN | claimed |
| WO-2023072794-A1 | PIPERAZINYLSULFONYLARYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-05-04 | — | — | WO | claimed |
| EP-4108665-A1 | [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR | F. Hoffmann-La Roche AG (CH) | 2022-12-28 | — | — | EP | claimed |
| CN-115093418-A | [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors | 豪夫迈·罗氏有限公司 | 2022-09-23 | — | — | CN | claimed |
| CN-115073476-A | [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors | 豪夫迈·罗氏有限公司 | 2022-09-20 | — | — | CN | claimed |
| EP-3717461-B1 | A NOVEL ISOXAZOLE COMPOUND OR A SALT THEREOF | OAT AGRIO CO LTD (JP) | 2022-06-15 | — | — | EP | claimed |
| CN-109415366-B | [1,2,3] triazolo [4,5-d ] pyrimidine derivatives | 豪夫迈·罗氏有限公司 | 2022-02-22 | — | — | CN | claimed |
| US-11242345-B2 | Sulfonimidoylpurinone compounds and methods of treatment using the same | HOFFMANN-LA ROCHE INC. (US) | 2022-02-08 | — | — | US | claimed |
| US-5053415-A | Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-10-01 | — | — | US | claimed |
| WO-1991013873-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-19 | — | — | WO | claimed |
| EP-0447164-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-18 | — | — | EP | claimed |
| US-5017573-A | Serotonin receptor antagonist | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1991-05-21 | — | — | US | claimed |
| EP-0365328-A2 | Pyridine derivatives | ZENECA LIMITED (GB) | 1990-04-25 | — | — | EP | claimed |
| EP-0358903-A2 | Indazole-3-carboxylic acid derivatives | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1990-03-21 | — | — | EP | claimed |
| EP-0192493-B1 | PROCESS FOR PROTECTING MATERIALS FROM ATMOSPHERIC AGENTS AND POLLUTANTS | AUSIMONT S.p.A. (IT) | 1988-10-12 | — | — | EP | claimed |
| US-4745009-A | Method for protecting stone materials from atmospheric agents by means of perfluoropolyether derivatives | AUSIMONT S.P.A. (IT) | 1988-05-17 | — | — | US | claimed |
| US-4243405-A | HYDROXYALKYLTRIAZOLES AND DERIVATIVES, PLANT GROWTH REGULATORS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-01-06 | — | — | US | claimed |
| EP-0001682-A2 | Heterocyclic compounds and their use as pesticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-05-02 | — | — | EP | claimed |