⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL84736 | 0.83 | GAA (0.44) | — | |
| SCHEMBL2582072 | 0.81 | GAA (0.52) | — | |
| SCHEMBL8198022 | 0.81 | — | — | |
| SCHEMBL973553 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11203332 | 0.81 | GAA (0.43) | — | |
| SCHEMBL9548308 | 0.79 | — | — | |
| SCHEMBL11072696 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL3637939 | 0.79 | GAA (0.50) | — | |
| SCHEMBL4846715 | 0.79 | — | — | |
| SCHEMBL2821 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5648368-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1997-07-15 | — | — | US | disclosed |
| EP-0673247-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS. | MERCK & CO INC (US) | 1996-05-01 | — | — | EP | disclosed |
| EP-0673247-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-09-27 | — | — | EP | disclosed |
| WO-1994012181-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-06-09 | — | — | WO | disclosed |