⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19344264 | 0.87 | — | — | |
| SCHEMBL18011115 | 0.86 | — | — | |
| SCHEMBL15133314 | 0.86 | — | — | |
| SCHEMBL18633958 | 0.84 | — | — | |
| SCHEMBL18709256 | 0.84 | — | — | |
| SCHEMBL23404472 | 0.84 | — | — | |
| SCHEMBL19480802 | 0.84 | — | — | |
| SCHEMBL21806635 | 0.82 | — | — | |
| SCHEMBL16926676 | 0.80 | — | — | |
| SCHEMBL30176795 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2242742-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2015-12-02 | — | — | EP | disclosed |
| US-20140323538-A1 | ANTICANCER P21-ACTIVATED KINASE INHIBITORS | OHIO STATE INNOVATION FOUNDATION (US) | 2014-10-30 | — | — | US | disclosed |