⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38095 | 0.83 | IDH1 (0.35) | — | |
| SCHEMBL4778875 | 0.74 | HRH3 (0.37) | — | |
| SCHEMBL411138 | 0.73 | GRIN2D (0.38) | — | |
| SCHEMBL46316 | 0.73 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL469887 | 0.73 | ROCK2 (0.33) | — | |
| SCHEMBL6599307 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL17316636 | 0.71 | CHRM3 (0.36) | — | |
| SCHEMBL8235167 | 0.70 | TDO2 (0.40) | — | |
| SCHEMBL37681 | 0.70 | CNR2 (0.43) | — | |
| SCHEMBL2040290 | 0.69 | MAP4K1 (0.36) | — |
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-2011151436-A2 | NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM | EUROSCREEN S.A. (BE) | 2011-12-08 | — | — | WO | disclosed |