⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2162344 | 1.00 | — | — | |
| SCHEMBL11273675 | 0.78 | — | — | |
| SCHEMBL28760995 | 0.75 | — | — | |
| SCHEMBL477867 | 0.73 | — | — | |
| SCHEMBL10125 | 0.73 | — | — | |
| SCHEMBL477908 | 0.73 | — | — | |
| Halothane SCHEMBL28249845 | 0.72 | ALDH1A1 (0.79) | — | |
| SCHEMBL8899596 | 0.70 | — | — | |
| SCHEMBL23164 | 0.70 | — | — | |
| SCHEMBL15638641 | 0.70 | — | — |
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-2018098499-A1 | COMPOUNDS AND THEIR METHODS OF USE | PRAXIS PRECISION MEDICINES, INC. (US) | 2018-05-31 | — | — | WO | disclosed |