⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1700995 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL27577309 | 0.91 | — | — | |
| SCHEMBL11337709 | 0.91 | — | — | |
| Sulfurous Acid SCHEMBL28675029 | 0.91 | — | — | |
| SCHEMBL10522803 | 0.91 | — | — | |
| SCHEMBL22083 | 0.91 | — | — | |
| Hno SCHEMBL29627239 | 0.87 | — | — | |
| SCHEMBL14632343 | 0.87 | — | — | |
| SCHEMBL6648394 | 0.76 | — | — | |
| SCHEMBL659161 | 0.75 | ALDH1A1 (0.32) | — |
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-1045571-A | Make cement or concrete method | TAMPELLA OY AB (FI) | 1990-09-26 | — | — | CN | disclosed |