⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7316197 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL8694344 | 0.84 | CPB1 (0.32) | — | |
| SCHEMBL7318176 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7309736 | 0.81 | — | — | |
| SCHEMBL7101675 | 0.69 | PTGER4 (0.35) | — | |
| SCHEMBL7100961 | 0.69 | XIAP (0.35) | — | |
| SCHEMBL7313733 | 0.68 | — | — | |
| SCHEMBL7146633 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL7315208 | 0.67 | — | — | |
| SCHEMBL7102441 | 0.67 | ACE (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0796866-A1 | Antithrombotic diamides | ELI LILLY AND COMPANY (US) | 1997-09-24 | — | — | EP | claimed |