⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3993926 | 0.89 | — | — | |
| SCHEMBL6221722 | 0.85 | — | — | |
| SCHEMBL3988605 | 0.85 | — | — | |
| SCHEMBL3988123 | 0.84 | — | — | |
| SCHEMBL4473261 | 0.84 | MOGAT2 (0.31) | — | |
| SCHEMBL3986554 | 0.83 | FKBP1A (0.33) | — | |
| SCHEMBL3993670 | 0.83 | — | — | |
| SCHEMBL4478138 | 0.83 | CHRM1 (0.30) | — | |
| SCHEMBL4470788 | 0.83 | — | — | |
| SCHEMBL4468232 | 0.83 | RAB9A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040224960-A1 | Pharmaceutical compositions and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-11-11 | — | — | US | claimed |
| US-20040224960-A1 | Pharmaceutical compositions and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-11-11 | — | — | US | disclosed |