⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29759000 | 1.00 | MEN1 (0.33) | — | |
| SCHEMBL22129632 | 1.00 | — | — | |
| SCHEMBL30042650 | 1.00 | MEN1 (0.33) | — | |
| SCHEMBL458198 | 1.00 | MEN1 (0.33) | — | |
| SCHEMBL27939 | 1.00 | — | — | |
| SCHEMBL16714239 | 0.94 | ALDH1A1 (0.42) | — | |
| Bromide SCHEMBL28697043 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL1500396 | 0.94 | — | — | |
| SCHEMBL30176793 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL1279200 | 0.85 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120135191-A1 | Systems, Methods and Apparatuses for Direct Embossment of a Polymer Melt Sheet | SOLUTIA INC. | 2012-05-31 | — | — | US | disclosed |