⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7094052 | 0.77 | — | — | |
| SCHEMBL490729 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL9862076 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL13800918 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL6945786 | 0.65 | — | — | |
| SCHEMBL753574 | 0.65 | — | — | |
| SCHEMBL11253186 | 0.63 | — | — | |
| SCHEMBL19276 | 0.63 | — | — | |
| SCHEMBL442374 | 0.63 | — | — | |
| SCHEMBL1932349 | 0.63 | — | — |
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-0802916-A1 | LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS | BIOCHEM PHARMA INC (CA) | 1997-10-29 | — | — | EP | disclosed |