⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL740846 | 0.83 | NQO1 (0.41) | — | |
| Ethylene SCHEMBL29270267 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL246349 | 0.74 | — | — | |
| SCHEMBL9298156 | 0.74 | KDM4E (0.47) | — | |
| SCHEMBL4071967 | 0.73 | — | — | |
| SCHEMBL9298208 | 0.73 | L3MBTL1 (0.42) | — | |
| SCHEMBL22426582 | 0.71 | ELANE (0.34) | — | |
| Ethylene SCHEMBL29270306 | 0.71 | NQO1 (0.37) | — | |
| SCHEMBL7028420 | 0.70 | MAPT (0.64) | — | |
| SCHEMBL8503295 | 0.70 | ALDH1A1 (0.58) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0269295-B1 | THERAPEUTIC AGENTS | The Boots Company PLC (GB) | 1991-06-26 | — | — | EP | disclosed |
| US-4877793-A | CARDIOVASCULAR DISORDERS | THE BOOTS COMPANY, PLC (GB) | 1989-10-31 | — | — | US | disclosed |
| EP-0269295-A1 | Therapeutic agents | The Boots Company PLC (GB) | 1988-06-01 | — | — | EP | disclosed |
| US-4710506-A | Antihypertensive thienopyridines | THE BOOTS COMPANY PLC (GB) | 1987-12-01 | — | — | US | disclosed |
| US-4216148-A | ANALGESIC, ANTIDEPRESSANT | AMERICAN CYANAMID COMPANY (US) | 1980-08-05 | — | — | US | disclosed |