⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19215823 | 0.78 | — | — | |
| SCHEMBL14567398 | 0.72 | — | — | |
| SCHEMBL14532734 | 0.69 | GABRR1 (0.33) | — | |
| SCHEMBL21277794 | 0.69 | — | — | |
| SCHEMBL22756841 | 0.65 | — | — | |
| SCHEMBL16801941 | 0.64 | — | — | |
| SCHEMBL14295975 | 0.63 | — | — | |
| SCHEMBL18698885 | 0.61 | — | — | |
| SCHEMBL8010225 | 0.61 | — | — | |
| SCHEMBL14306381 | 0.61 | — | — |
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-2446026-B1 | TRANSAMINASE REACTIONS | CODEXIS INC (US) | 2017-08-09 | — | — | EP | disclosed |