⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3317460 | 0.85 | ADH1B (0.46) | — | |
| SCHEMBL368094 | 0.83 | ADRB2 (0.35) | — | |
| SCHEMBL5611639 | 0.80 | ADRB2 (0.34) | — | |
| SCHEMBL5611699 | 0.80 | ADRB2 (0.34) | — | |
| SCHEMBL3023756 | 0.77 | PAOX (0.50) | — | |
| SCHEMBL9600 | 0.77 | — | — | |
| SCHEMBL14388744 | 0.76 | ADH1B (0.56) | — | |
| SCHEMBL3197403 | 0.76 | — | — | |
| SCHEMBL2478334 | 0.76 | — | — | |
| SCHEMBL24245478 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100104659-A1 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2010-04-29 | — | — | US | disclosed |