⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7326104 | 0.93 | CYP2C19 (0.52) | — | |
| SCHEMBL9227994 | 0.91 | CYP2C19 (0.50) | — | |
| SCHEMBL5191406 | 0.91 | CYP2C19 (0.50) | — | |
| SCHEMBL28589480 | 0.87 | ALDH1A1 (0.41) | — | |
| SCHEMBL21357680 | 0.84 | — | — | |
| SCHEMBL3037203 | 0.84 | — | — | |
| SCHEMBL8398870 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL439737 | 0.79 | — | — | |
| SCHEMBL10874428 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL14514991 | 0.78 | CYP2C19 (0.52) | — |
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-11718638-B2 | Compounds, compositions and methods for synthesis | WAVE LIFE SCIENCES LTD. (SG) | 2023-08-08 | — | — | US | disclosed |