⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3641666 | 0.84 | — | — | |
| SCHEMBL20411705 | 0.84 | — | — | |
| SCHEMBL10570699 | 0.82 | LMNA (0.48) | — | |
| 2-Methylbutanal SCHEMBL9790338 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL9790282 | 0.73 | TSHR (0.44) | — | |
| SCHEMBL7679155 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL5618574 | 0.70 | — | — | |
| SCHEMBL1975022 | 0.70 | USP2 (0.32) | — | |
| Propionaldehyde SCHEMBL1412137 | 0.69 | ALDH1A1 (0.53) | — | |
| Dimethylformamide SCHEMBL2184966 | 0.69 | TSHR (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006053116-A2 | RIZATRIPTAN PROCESS | DR. REDDY'S LABORATORIES LTD. (IN) | 2006-05-18 | — | — | WO | disclosed |
| EP-0497512-B1 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME (GB) | 1997-09-24 | — | — | EP | disclosed |
| EP-0778275-A1 | Process for the preparation of imidazole, triazole and tetrazole derivatives and their use as selective 5-HT-1 receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1997-06-11 | — | — | EP | disclosed |
| US-5602163-A | SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE HEADACHES | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |
| US-5602162-A | TREATMENT AND/OR PREVENTION OF MIGRAINE | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |
| US-5451588-A | Treatment of migraines | MERCK SHARP & DOHME LTD. (GB) | 1995-09-19 | — | — | US | disclosed |
| US-5298520-A | Triazole containing indole derivatives | MERCK SHARP & DOHME LIMITED (GB) | 1994-03-29 | — | — | US | disclosed |
| EP-0497512-A2 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME LTD. (GB) | 1992-08-05 | — | — | EP | disclosed |