⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30054318 | 0.76 | — | — | |
| SCHEMBL896946 | 0.76 | — | — | |
| SCHEMBL5068410 | 0.74 | — | — | |
| SCHEMBL8676221 | 0.74 | — | — | |
| SCHEMBL9301124 | 0.70 | — | — | |
| SCHEMBL10579825 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL8085482 | 0.70 | — | — | |
| SCHEMBL804525 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL5580867 | 0.70 | — | — | |
| SCHEMBL7642396 | 0.70 | — | — |
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-4289890-A | Synthesis of chloromethyldisilanes | GORDON ROY G | 1981-09-15 | — | — | US | disclosed |