⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5146871 | 0.97 | — | — | |
| SCHEMBL6290041 | 0.93 | — | — | |
| SCHEMBL732371 | 0.90 | — | — | |
| SCHEMBL5956778 | 0.90 | — | — | |
| SCHEMBL8736018 | 0.87 | — | — | |
| SCHEMBL509640 | 0.82 | — | — | |
| SCHEMBL108892 | 0.78 | — | — | |
| SCHEMBL10903370 | 0.75 | — | — | |
| SCHEMBL384218 | 0.74 | — | — | |
| SCHEMBL5729396 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4463001-A | ANTIULCER AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1984-07-31 | — | — | US | disclosed |
| US-4229450-A | HYPOTENSIVE AGENT, ANTIASTHMATIC AGENT OR ANTIDEPRESSANT | SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) | 1980-10-21 | — | — | US | disclosed |