⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6605262 | 0.83 | VHL (0.44) | — | |
| SCHEMBL5407585 | 0.71 | PDE4B (0.31) | — | |
| SCHEMBL6023181 | 0.65 | PDE4A (0.33) | — | |
| SCHEMBL6606465 | 0.64 | — | — | |
| SCHEMBL6611249 | 0.63 | MEN1 (0.32) | — | |
| SCHEMBL6611239 | 0.63 | MEN1 (0.32) | — | |
| SCHEMBL19899882 | 0.61 | TSHR (0.36) | — | |
| SCHEMBL7448616 | 0.60 | MEN1 (0.33) | — | |
| SCHEMBL5402643 | 0.60 | MAOB (0.34) | — | |
| SCHEMBL900973 | 0.57 | KMT2A (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6716834-B2 | ANTICOAGULANTS. | ASTRAZENECA AB (SE) | 2004-04-06 | — | — | US | disclosed |
| EP-1283837-B1 | NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2004-02-25 | — | — | EP | disclosed |
| US-20030220317-A1 | Thiochromane derivatives and their use as thrombin inhibitors | ASTRAZENECA AB (SE) | 2003-11-27 | — | — | US | disclosed |
| EP-1283837-A1 | NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2003-02-19 | — | — | EP | disclosed |
| WO-2001087879-A1 | NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2001-11-22 | — | — | WO | disclosed |