⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11198454 | 0.88 | — | — | |
| SCHEMBL7069430 | 0.86 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL14361050 | 0.67 | — | — | |
| SCHEMBL8532055 | 0.67 | THRB (0.32) | — | |
| SCHEMBL6362966 | 0.67 | — | — | |
| SCHEMBL8373078 | 0.65 | — | — | |
| Hydrogen Sulfide SCHEMBL29062317 | 0.65 | THRB (0.30) | — | |
| SCHEMBL6140894 | 0.63 | — | — | |
| SCHEMBL127133 | 0.62 | — | — | |
| SCHEMBL4024768 | 0.62 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112469707-B | Preventive or therapeutic agent for spinal muscular atrophy | 利伯纳生物科学株式会社 | 2024-06-21 | — | — | CN | disclosed |
| CN-117715658-A | Method for inhibiting RAS | 锐新医药公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-111233598-B | Method for preparing 4-alkynone/ester compound and application thereof | 盐城锦明药业有限公司 | 2023-04-11 | — | — | CN | disclosed |
| CN-112469707-A | Prophylactic or therapeutic agent for spinal muscular atrophy | 利伯纳生物科学株式会社 | 2021-03-09 | — | — | CN | disclosed |
| US-9156816-B2 | Tetrazolyloxime derivative or salt thereof and fungicide | NIPPON SODA CO., LTD. (JP) | 2015-10-13 | — | — | US | disclosed |
| US-8592579-B2 | Pyrrolotriazine kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-11-26 | — | — | US | disclosed |
| EP-2540716-A1 | TETRAZOLYLOXIME DERIVATIVE OR A SALT THEREOF, AND GERMICIDE | Nippon Soda Co., Ltd. (JP) | 2013-01-02 | — | — | EP | disclosed |
| US-20120309972-A1 | TETRAZOLYLOXIME DERIVATIVE OR SALT THEREOF AND FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 2012-12-06 | — | — | US | disclosed |
| US-20120302747-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-11-29 | — | — | US | disclosed |
| EP-1140850-A1 | QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040561-A1 | QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2000-07-13 | — | — | WO | disclosed |