⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3518 | 0.66 | — | — | |
| SCHEMBL596912 | 0.63 | — | — | |
| SCHEMBL69724 | 0.62 | — | — | |
| SCHEMBL7498491 | 0.62 | — | — | |
| SCHEMBL27709 | 0.62 | — | — | |
| SCHEMBL11888665 | 0.60 | — | — | |
| SCHEMBL596769 | 0.59 | — | — | |
| SCHEMBL2170353 | 0.57 | — | — | |
| SCHEMBL16167251 | 0.57 | ACHE (0.31) | — | |
| SCHEMBL2922472 | 0.56 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1667647-A4 | MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-10-22 | — | — | EP | claimed |
| EP-1667647-A2 | MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2006-06-14 | — | — | EP | claimed |
| WO-2005032468-A2 | MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | claimed |