⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13531327 | 0.73 | PIK3CG (0.31) | — | |
| SCHEMBL77011 | 0.72 | — | — | |
| SCHEMBL13882097 | 0.70 | — | — | |
| SCHEMBL13882098 | 0.70 | — | — | |
| SCHEMBL19131543 | 0.69 | — | — | |
| SCHEMBL13882095 | 0.68 | — | — | |
| SCHEMBL77350 | 0.66 | IDO1 (0.37) | — | |
| SCHEMBL16671992 | 0.65 | ACHE (0.30) | — | |
| SCHEMBL17170023 | 0.65 | — | — | |
| SCHEMBL12202213 | 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 |