⚠ 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL27991902 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL2156398 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL28106994 | 0.78 | ALDH1A1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL27991089 | 0.78 | ALDH1A1 (0.30) | — | |
| Phosphine SCHEMBL28031041 | 0.78 | ALDH1A1 (0.30) | — | |
| Water SCHEMBL28060834 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL28200000 | 0.78 | — | — | |
| Alcohol SCHEMBL28056034 | 0.76 | ALDH1A1 (0.35) | — | |
| Ethylamine SCHEMBL28056822 | 0.75 | ALDH1A1 (0.31) | — | |
| Urea SCHEMBL28099555 | 0.75 | — | — |
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 |