⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12966800 | 0.87 | — | — | |
| SCHEMBL12966796 | 0.87 | — | — | |
| SCHEMBL15469649 | 0.85 | — | — | |
| SCHEMBL12966801 | 0.83 | — | — | |
| SCHEMBL3729101 | 0.83 | PDGFRB (0.32) | — | |
| SCHEMBL3728278 | 0.82 | RAB9A (0.31) | — | |
| SCHEMBL3740907 | 0.82 | MAPK14 (0.30) | — | |
| SCHEMBL3742660 | 0.82 | — | — | |
| SCHEMBL3739222 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL15469654 | 0.81 | — | — |
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 |