⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16639034 | 1.00 | — | — | |
| SCHEMBL31134653 | 1.00 | — | — | |
| SCHEMBL7524877 | 0.76 | — | — | |
| SCHEMBL8650911 | 0.76 | — | — | |
| SCHEMBL177587 | 0.74 | — | — | |
| SCHEMBL14037955 | 0.74 | — | — | |
| SCHEMBL7529498 | 0.74 | — | — | |
| SCHEMBL22097691 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL1065229 | 0.72 | — | — | |
| SCHEMBL28294736 | 0.72 | — | — |
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-2085391-A2 | Inhibitors of factor XA and other serine proteases involved in the coagulation cascade | Warner-Lambert Company LLC (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008086188-A2 | THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-17 | — | — | WO | disclosed |