⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL66594 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL1436102 | 0.65 | TRPA1 (0.31) | — | |
| SCHEMBL2160079 | 0.65 | TRPA1 (0.31) | — | |
| SCHEMBL2159794 | 0.65 | TRPA1 (0.31) | — | |
| SCHEMBL5602389 | 0.65 | TP53 (0.32) | — | |
| SCHEMBL67783 | 0.65 | — | — | |
| SCHEMBL5602680 | 0.65 | CDC25A (0.33) | — | |
| SCHEMBL9004427 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL5601855 | 0.63 | — | — | |
| SCHEMBL5603847 | 0.63 | ALDH1A1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082321-A1 | HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA | AstraZeneca AB (SE) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999057113-A1 | HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA | ASTRAZENECA AB (SE) | 1999-11-11 | — | — | WO | disclosed |