⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18634149 | 0.62 | — | — | |
| SCHEMBL21886204 | 0.52 | — | — | |
| SCHEMBL8688758 | 0.49 | ALDH1A1 (0.32) | — | |
| SCHEMBL21033945 | 0.48 | — | — | |
| SCHEMBL2357812 | 0.48 | — | — | |
| SCHEMBL4598893 | 0.47 | — | — | |
| SCHEMBL11858117 | 0.44 | CYP1A2 (0.35) | — | |
| SCHEMBL5752999 | 0.44 | — | — | |
| SCHEMBL5829345 | 0.43 | ALDH1A1 (0.36) | — | |
| SCHEMBL5797902 | 0.43 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3141548-B1 | PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES | VERTEX PHARMA (US) | 2020-04-08 | — | — | EP | disclosed |