⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11639903 | 0.89 | — | — | |
| SCHEMBL11637848 | 0.85 | — | — | |
| SCHEMBL11641648 | 0.82 | — | — | |
| SCHEMBL11641839 | 0.79 | — | — | |
| SCHEMBL11706837 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11632233 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11630661 | 0.74 | — | — | |
| SCHEMBL11753863 | 0.74 | — | — | |
| SCHEMBL11642445 | 0.74 | CNR2 (0.45) | — | |
| SCHEMBL11327082 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4096265-A | HYPOTENSIVE AGENTS | SHARPS ASSOCIATES (US) | 1978-06-20 | — | — | US | disclosed |