⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17707094 | 0.83 | TRPA1 (0.31) | — | |
| SCHEMBL28065663 | 0.79 | KDM1A (0.38) | — | |
| SCHEMBL17706986 | 0.77 | — | — | |
| Water SCHEMBL5684260 | 0.76 | TRPA1 (0.30) | — | |
| SCHEMBL19633273 | 0.76 | — | — | |
| SCHEMBL845432 | 0.74 | LPAR2 (0.33) | — | |
| SCHEMBL18860351 | 0.74 | — | — | |
| SCHEMBL892176 | 0.74 | — | — | |
| SCHEMBL16596134 | 0.74 | — | — | |
| SCHEMBL845988 | 0.72 | — | — |
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-105566373-A | Novel bisalkoxysilane compound and its production method | SHINETSU CHEMICAL CO | 2016-05-11 | — | — | CN | disclosed |