⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL357607 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL898050 | 0.73 | — | — | |
| SCHEMBL1792016 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL193916 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL8505294 | 0.73 | ALDH1A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL250009 | 0.71 | ALDH1A1 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL28873134 | 0.71 | ALDH1A1 (0.43) | — | |
| Water SCHEMBL8817645 | 0.71 | ALDH1A1 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL28763213 | 0.71 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL11184747 | 0.71 | ALDH1A1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7531566-B2 | Anti-inflammatory medicaments | DECIPHERA PHARMACEUTICALS, LLC (US) | 2009-05-12 | — | — | US | disclosed |
| US-20090105230-A1 | Anti-inflammatory medicaments | FLYNN DANIEL L | 2009-04-23 | — | — | US | disclosed |
| US-20080064688-A1 | Anti-inflammatory medicaments | DECIPHERA PHARMACEUTICALS, LLC | 2008-03-13 | — | — | US | disclosed |