⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8618000 | 1.00 | — | — | |
| SCHEMBL9468613 | 0.81 | CTH (0.42) | — | |
| SCHEMBL9467576 | 0.81 | CTH (0.42) | — | |
| SCHEMBL13319935 | 0.81 | CTH (0.42) | — | |
| SCHEMBL14030614 | 0.80 | — | — | |
| SCHEMBL9745455 | 0.78 | — | — | |
| SCHEMBL21086885 | 0.78 | — | — | |
| SCHEMBL17142340 | 0.78 | — | — | |
| SCHEMBL13227971 | 0.78 | — | — | |
| SCHEMBL9745461 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5710324-A | AMINE CONTAINING COMPOUNDS | MERRELL PHARMACEUTICALS INC. (US) | 1998-01-20 | — | — | US | disclosed |
| US-5318992-A | Administering for the treatment of hypotensive conditions and shock | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0446699-A1 | Inhibitors of nitric oxide biosynthesis | MERRELL PHARMACEUTICALS INC. (US) | 1991-09-18 | — | — | EP | disclosed |