⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29733154 | 1.00 | HRH3 (0.55) | — | |
| SCHEMBL3317292 | 1.00 | — | — | |
| SCHEMBL16387812 | 0.97 | — | — | |
| SCHEMBL29575930 | 0.90 | — | — | |
| SCHEMBL4089169 | 0.82 | HRH3 (0.65) | — | |
| SCHEMBL13692450 | 0.80 | HRH3 (0.70) | — | |
| SCHEMBL23828671 | 0.79 | HRH3 (0.69) | — | |
| SCHEMBL5466977 | 0.79 | HRH3 (0.69) | — | |
| SCHEMBL134912 | 0.79 | HRH3 (0.69) | — | |
| SCHEMBL12826 | 0.79 | HRH3 (0.69) | — |
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-20100104659-A1 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2010-04-29 | — | — | US | disclosed |
| EP-2041141-A2 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008006883-A2 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2008-01-17 | — | — | WO | disclosed |