⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11405021 | 0.84 | — | — | |
| SCHEMBL78819 | 0.84 | — | — | |
| SCHEMBL28330532 | 0.84 | ALDH1A1 (1.00) | — | |
| Water SCHEMBL5070486 | 0.81 | — | — | |
| Benzene SCHEMBL28614243 | 0.74 | ALDH1A1 (0.77) | — | |
| SCHEMBL1813030 | 0.69 | ALDH1A1 (0.67) | — | |
| SCHEMBL697602 | 0.65 | — | — | |
| SCHEMBL179915 | 0.65 | — | — | |
| SCHEMBL8440977 | 0.65 | — | — | |
| SCHEMBL80580 | 0.65 | — | — |
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-85102251-A | The preparation method of polythiane | — | 1986-09-24 | — | — | CN | disclosed |