⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7111016 | 0.75 | CLK4 (0.36) | — | |
| SCHEMBL557663 | 0.71 | KDM4E (0.41) | — | |
| SCHEMBL7360328 | 0.71 | — | — | |
| SCHEMBL10326320 | 0.59 | KDM4E (0.46) | — | |
| SCHEMBL6990356 | 0.58 | KDM4E (0.32) | — | |
| SCHEMBL171853 | 0.58 | HDAC8 (0.47) | — | |
| SCHEMBL1900332 | 0.58 | KDM4E (0.47) | — | |
| SCHEMBL3431562 | 0.58 | — | — | |
| SCHEMBL1467709 | 0.57 | KDM4E (0.31) | — | |
| SCHEMBL4270187 | 0.55 | HDAC8 (0.44) | — |
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-1337251-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002102380-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-12-27 | — | — | WO | disclosed |