⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10039012 | 0.78 | — | — | |
| SCHEMBL2755080 | 0.65 | — | — | |
| SCHEMBL8141443 | 0.65 | — | — | |
| SCHEMBL13680341 | 0.65 | — | — | |
| SCHEMBL13550844 | 0.64 | — | — | |
| SCHEMBL9882834 | 0.63 | EPHX1 (0.32) | — | |
| SCHEMBL2628484 | 0.61 | — | — | |
| SCHEMBL865423 | 0.61 | — | — | |
| SCHEMBL5547689 | 0.59 | — | — | |
| SCHEMBL14393530 | 0.59 | — | — |
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-20120142911-A1 | SYNTHESIS OF TTX INTERMEDIATES | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2012-06-07 | — | — | US | disclosed |