⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28213937 | 0.88 | KMT2A (0.35) | — | |
| SCHEMBL28236445 | 0.76 | — | — | |
| SCHEMBL20632701 | 0.74 | CYP3A4 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL29060862 | 0.74 | — | — | |
| SCHEMBL16714727 | 0.74 | CYP3A4 (0.30) | — | |
| SCHEMBL28095372 | 0.71 | — | — | |
| SCHEMBL28847451 | 0.69 | — | — | |
| SCHEMBL28372506 | 0.68 | — | — | |
| SCHEMBL20658015 | 0.67 | — | — | |
| SCHEMBL1459382 | 0.66 | HRH3 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105473643-B | The polymer of silicol and containing silane groups | SIKA技术股份公司 | 2018-04-13 | — | — | CN | disclosed |