⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9011643 | 1.00 | — | — | |
| SCHEMBL23007747 | 0.70 | CES2 (0.33) | — | |
| SCHEMBL9372018 | 0.67 | CES2 (0.36) | — | |
| SCHEMBL9372016 | 0.67 | CES2 (0.36) | — | |
| SCHEMBL9719722 | 0.66 | NPSR1 (0.41) | — | |
| SCHEMBL9719724 | 0.66 | NPSR1 (0.41) | — | |
| SCHEMBL7311922 | 0.65 | CES2 (0.39) | — | |
| SCHEMBL8662238 | 0.64 | CES2 (0.32) | — | |
| SCHEMBL25658335 | 0.62 | — | — | |
| SCHEMBL19222001 | 0.62 | — | — |
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-5494934-A | ANTIDEPRESSANTS, HYPOTENSIVE AGENTS | ADIR ET COMPAGNIE (FR) | 1996-02-27 | — | — | US | disclosed |
| US-5296498-A | Guanidine compounds | ADIR ET COMPAGNIE (FR) | 1994-03-22 | — | — | US | disclosed |
| EP-0488897-A1 | New guanidine derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1992-06-03 | — | — | EP | disclosed |