⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7962089 | 0.77 | — | — | |
| SCHEMBL14608873 | 0.76 | — | — | |
| SCHEMBL12806497 | 0.74 | — | — | |
| SCHEMBL6955230 | 0.71 | — | — | |
| SCHEMBL13901719 | 0.70 | — | — | |
| SCHEMBL18621232 | 0.68 | — | — | |
| SCHEMBL19337390 | 0.65 | PTPN1 (0.31) | — | |
| SCHEMBL19171027 | 0.58 | — | — | |
| SCHEMBL14260036 | 0.58 | — | — | |
| SCHEMBL19337486 | 0.58 | ACHE (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003047520-A2 | SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-06-12 | — | — | WO | disclosed |