⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7744678 | 0.79 | — | — | |
| SCHEMBL3649700 | 0.72 | NPC1 (0.46) | — | |
| SCHEMBL7744753 | 0.72 | NPC1 (0.60) | — | |
| SCHEMBL31078239 | 0.70 | — | — | |
| SCHEMBL7746578 | 0.70 | LMNA (0.48) | — | |
| SCHEMBL28286237 | 0.69 | NPC1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL31078195 | 0.69 | — | — | |
| SCHEMBL11617681 | 0.68 | RAB9A (0.34) | — | |
| SCHEMBL2413529 | 0.67 | — | — | |
| SCHEMBL1431302 | 0.67 | BCAT2 (0.52) | — |
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-2063896-A2 | KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Deciphera Pharmaceuticals, LLC. (US) | 2009-06-03 | — | — | EP | claimed |
| WO-2008033999-A2 | KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | DECIPHERA PHARMACEUTICALS, LLC (US) | 2008-03-20 | — | — | WO | claimed |