⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49611 | 0.87 | ALDH1A1 (0.38) | — | |
| SCHEMBL8636707 | 0.87 | ALDH1A1 (0.38) | — | |
| Water SCHEMBL28119346 | 0.84 | ALDH1A1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL28183813 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL28298997 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL5580113 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL5342682 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL6564179 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL838899 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL1289446 | 0.76 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0337790-B1 | Process for making high strength fluorosilicone sealants | DOW CORNING (US) | 1994-01-12 | — | — | EP | claimed |