⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4486292 | 0.77 | — | — | |
| SCHEMBL2175146 | 0.64 | — | — | |
| SCHEMBL1866401 | 0.64 | — | — | |
| SCHEMBL3542283 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL29260638 | 0.62 | — | — | |
| SCHEMBL8639901 | 0.59 | — | — | |
| SCHEMBL6418743 | 0.59 | — | — | |
| SCHEMBL28344643 | 0.59 | — | — | |
| SCHEMBL28880919 | 0.57 | — | — | |
| SCHEMBL1809287 | 0.52 | — | — |
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-4262125-A | ANTISECRETORY, HYPOTENSIVE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1981-04-14 | — | — | US | disclosed |