⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11100644 | 0.76 | — | — | |
| SCHEMBL184925 | 0.64 | — | — | |
| SCHEMBL8689309 | 0.61 | — | — | |
| SCHEMBL4237669 | 0.61 | CYP3A4 (0.32) | — | |
| SCHEMBL8777769 | 0.56 | — | — | |
| SCHEMBL12855673 | 0.55 | — | — | |
| SCHEMBL16659509 | 0.55 | — | — | |
| SCHEMBL5272284 | 0.55 | — | — | |
| SCHEMBL17956810 | 0.55 | — | — | |
| SCHEMBL2145978 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2090577-B1 | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | SIGNAL PHARM LLC (US) | 2017-04-05 | — | — | EP | disclosed |