⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17516290 | 0.84 | — | — | |
| SCHEMBL23277950 | 0.77 | — | — | |
| SCHEMBL12256238 | 0.71 | — | — | |
| SCHEMBL17518799 | 0.71 | NCF1 (0.31) | — | |
| SCHEMBL10272592 | 0.66 | — | — | |
| SCHEMBL17518802 | 0.66 | DPP4 (0.35) | — | |
| SCHEMBL15164295 | 0.66 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL15170753 | 0.66 | LMNA (0.41) | — | |
| SCHEMBL845474 | 0.66 | — | — | |
| SCHEMBL20368698 | 0.66 | GBA1 (0.31) | — |
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-9809545-B2 | Factor XIa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-07 | — | — | US | disclosed |