⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8743704 | 0.78 | — | — | |
| SCHEMBL4898900 | 0.72 | — | — | |
| SCHEMBL277231 | 0.71 | — | — | |
| SCHEMBL277793 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL9302609 | 0.71 | — | — | |
| SCHEMBL135020 | 0.70 | — | — | |
| SCHEMBL11234826 | 0.70 | — | — | |
| SCHEMBL5696041 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL134615 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL679721 | 0.67 | EGFR (0.33) | — |
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-2014005854-A1 | METHOD FOR THE PRODUCTION OF ISONONYL DERIVATIVES | OXEA GMBH (DE) | 2014-01-09 | — | — | WO | disclosed |