⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5725552 | 0.83 | CDK2 (0.41) | — | |
| SCHEMBL6251626 | 0.79 | NOS1 (0.36) | — | |
| SCHEMBL6249800 | 0.77 | OGA (0.41) | — | |
| SCHEMBL6249797 | 0.77 | OGA (0.41) | — | |
| SCHEMBL13301117 | 0.75 | HDAC1 (0.34) | — | |
| SCHEMBL6249266 | 0.71 | AOC3 (0.33) | — | |
| SCHEMBL6249237 | 0.70 | KMT2A (0.43) | — | |
| SCHEMBL6248544 | 0.69 | OGA (0.44) | — | |
| SCHEMBL6248546 | 0.69 | OGA (0.44) | — | |
| SCHEMBL5875528 | 0.69 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005035541-A1 | SILICON COMPOUNDS AND THEIR USE | AMEDIS PHARMACEUTICALS LTD. (GB) | 2005-04-21 | — | — | WO | claimed |
| WO-2005035541-A1 | SILICON COMPOUNDS AND THEIR USE | AMEDIS PHARMACEUTICALS LTD. (GB) | 2005-04-21 | — | — | WO | disclosed |