⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17868372 | 0.67 | — | — | |
| SCHEMBL867301 | 0.67 | — | — | |
| SCHEMBL542372 | 0.65 | — | — | |
| SCHEMBL11099045 | 0.65 | — | — | |
| SCHEMBL98083 | 0.65 | — | — | |
| SCHEMBL1287882 | 0.65 | — | — | |
| SCHEMBL22131701 | 0.63 | CYP1A2 (0.41) | — | |
| SCHEMBL4654400 | 0.63 | — | — | |
| SCHEMBL4203063 | 0.63 | — | — | |
| SCHEMBL1587405 | 0.62 | CYP1A2 (0.39) | — |
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-2018093716-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |