⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1249288 | 0.69 | — | — | |
| SCHEMBL5934901 | 0.69 | — | — | |
| SCHEMBL157942 | 0.68 | — | — | |
| SCHEMBL9299585 | 0.67 | — | — | |
| SCHEMBL1450143 | 0.66 | — | — | |
| SCHEMBL19841379 | 0.65 | — | — | |
| SCHEMBL11443027 | 0.65 | — | — | |
| Bromide SCHEMBL9740674 | 0.63 | POLB (0.32) | — | |
| SCHEMBL1608867 | 0.61 | — | — | |
| Iodide SCHEMBL11809783 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4328238-A | ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS | SANKYO COMPANY LIMITED (JP) | 1982-05-04 | — | — | US | disclosed |
| US-4238607-A | ANTIBIOTICS, SEDATIVES, HYPOTENSIVE AGENTS, AND ANTIDEPRESSANTS | ENDO LABORATORIES INC. (US) | 1980-12-09 | — | — | US | disclosed |
| US-4183936-A | SEDATIVES, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, BACTERICIDES | ENDO LABORATORIES, INC. (US) | 1980-01-15 | — | — | US | disclosed |
| US-4115577-A | SEDATIVES, ANTIDEPRESSANT ANTIHYPERTENSIVE, ANTIBACTERIAL | ENDO LABORATORIES, INC. (US) | 1978-09-19 | — | — | US | disclosed |
| US-4013652-A | SEDATIVES | ENDO LABORATORIES, INC. (US) | 1977-03-22 | — | — | US | disclosed |