⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14490642 | 0.75 | PPP5C (0.30) | — | |
| SCHEMBL14348195 | 0.75 | PPP5C (0.30) | — | |
| SCHEMBL13172727 | 0.70 | — | — | |
| SCHEMBL14522909 | 0.68 | — | — | |
| SCHEMBL12289853 | 0.64 | — | — | |
| SCHEMBL11785032 | 0.64 | PPP5C (0.34) | — | |
| SCHEMBL8307289 | 0.63 | CA1 (0.33) | — | |
| SCHEMBL11776501 | 0.63 | PPP5C (0.40) | — | |
| SCHEMBL24992121 | 0.59 | — | — | |
| SCHEMBL13445772 | 0.58 | PPP5C (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7312214-B2 | 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |
| WO-2004083177-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRYSTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |