⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15469624 | 0.92 | POLB (0.30) | — | |
| SCHEMBL15469600 | 0.90 | — | — | |
| SCHEMBL15469601 | 0.89 | — | — | |
| SCHEMBL15469657 | 0.89 | — | — | |
| SCHEMBL15469653 | 0.89 | — | — | |
| SCHEMBL15469598 | 0.88 | PPARA (0.31) | — | |
| SCHEMBL15469625 | 0.87 | — | — | |
| SCHEMBL15469632 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL12822005 | 0.86 | PARP1 (0.30) | — | |
| SCHEMBL633818 | 0.84 | PARP1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140045890-A1 | NOVEL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2014-02-13 | — | — | US | disclosed |
| US-20140045890-A1 | NOVEL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2014-02-13 | — | — | US | disclosed |