⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL98169 | 0.97 | — | — | |
| SCHEMBL476548 | 0.97 | GAA (0.60) | — | |
| SCHEMBL31197183 | 0.94 | — | — | |
| SCHEMBL11217736 | 0.94 | GAA (0.57) | — | |
| SCHEMBL27594437 | 0.94 | — | — | |
| SCHEMBL964379 | 0.94 | GAA (0.57) | — | |
| SCHEMBL6186193 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL5707898 | 0.94 | — | — | |
| SCHEMBL7331280 | 0.94 | — | — | |
| SCHEMBL28111294 | 0.94 | — | — |
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-105601928-A | Hydrophilic sulfydryl modified silicone rubber and preparation method thereof | UNIV BEIJING CHEMICAL TECH | 2016-05-25 | — | — | CN | disclosed |