⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1100419 | 0.81 | — | — | |
| SCHEMBL7770911 | 0.79 | — | — | |
| SCHEMBL4673333 | 0.74 | GAA (0.48) | — | |
| SCHEMBL2682415 | 0.74 | GAA (0.60) | — | |
| SCHEMBL27411503 | 0.72 | ALDH1A1 (0.63) | — | |
| SCHEMBL9995139 | 0.72 | — | — | |
| SCHEMBL123093 | 0.72 | — | — | |
| SCHEMBL77241 | 0.72 | — | — | |
| SCHEMBL6517132 | 0.71 | HCAR2 (0.58) | — | |
| SCHEMBL23630444 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0531382-A1 | N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-03-17 | — | — | EP | claimed |
| WO-1991018888-A1 | N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-12-12 | — | — | WO | claimed |
| EP-4378928-A1 | NAPHTHALENE DITHIOL AND DERIVATIVE THEREOF, AND PRODUCTION METHODS AND USES FOR SAME | SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2024-06-05 | — | — | EP | disclosed |
| CN-118055922-A | Naphthalene dithiol and its derivatives, and their preparation method and use | 菅井化学工业株式会社 | 2024-05-17 | — | — | CN | disclosed |
| EP-0531382-A1 | N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-03-17 | — | — | EP | disclosed |
| EP-0531382-A1 | N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-03-17 | — | — | EP | disclosed |
| WO-1991018888-A1 | N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-12-12 | — | — | WO | disclosed |
| WO-1991018888-A1 | N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-12-12 | — | — | WO | disclosed |