⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38702 | 0.92 | — | — | |
| Bromide SCHEMBL9286855 | 0.88 | — | — | |
| Acetone SCHEMBL8491952 | 0.88 | LMNA (0.50) | — | |
| Hydrochloric Acid SCHEMBL1027951 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL4948046 | 0.88 | ALDH1A1 (0.47) | — | |
| Iodide SCHEMBL23540725 | 0.88 | — | — | |
| Water SCHEMBL4748367 | 0.88 | — | — | |
| SCHEMBL28059549 | 0.88 | — | — | |
| Water SCHEMBL10942482 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL27869719 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5371086-A | Circulatory disorders side effect reduction | THE GREEN CROSS CORPORATION (JP) | 1994-12-06 | — | — | US | disclosed |
| US-5262415-A | FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM | THE GREEN CROSS CORPORATION (JP) | 1993-11-16 | — | — | US | disclosed |
| EP-0503627-A1 | Aminopyridine compounds | THE GREEN CROSS CORPORATION (JP) | 1992-09-16 | — | — | EP | disclosed |
| US-3956297-A | 9H-Dibenzo[b,f]imidazo[1,2-d][1,4]diazepines | THE UPJOHN COMPANY (US) | 1976-05-11 | — | — | US | disclosed |