⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3113264 | 0.60 | — | — | |
| SCHEMBL8024529 | 0.60 | — | — | |
| SCHEMBL13798813 | 0.60 | — | — | |
| SCHEMBL10698209 | 0.60 | — | — | |
| SCHEMBL3105269 | 0.60 | — | — | |
| SCHEMBL1034172 | 0.56 | — | — | |
| SCHEMBL3120795 | 0.55 | — | — | |
| SCHEMBL3106419 | 0.55 | — | — | |
| SCHEMBL16284668 | 0.55 | — | — | |
| SCHEMBL2039047 | 0.51 | — | — |
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-1482940-A2 | PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | Pharmacia Corporation (US) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003028729-A2 | PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2003-04-10 | — | — | WO | disclosed |