⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12204490 | 0.87 | — | — | |
| SCHEMBL12204460 | 0.82 | — | — | |
| SCHEMBL12204474 | 0.75 | — | — | |
| SCHEMBL12204488 | 0.68 | — | — | |
| SCHEMBL4581009 | 0.68 | LMNA (0.41) | — | |
| SCHEMBL12204473 | 0.67 | — | — | |
| SCHEMBL12204428 | 0.67 | — | — | |
| SCHEMBL12204434 | 0.66 | — | — | |
| SCHEMBL17452493 | 0.65 | LMNA (0.38) | — | |
| SCHEMBL12204463 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180030036-A1 | Factor IXa Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-02-01 | — | — | US | disclosed |