⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333504 | 0.81 | — | — | |
| SCHEMBL12445294 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL6876173 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL24245846 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL18776201 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL685290 | 0.79 | — | — | |
| SCHEMBL686167 | 0.79 | — | — | |
| SCHEMBL5356743 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL13518717 | 0.77 | — | — | |
| SCHEMBL25077965 | 0.77 | — | — |
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-8128393-B2 | Methods and materials for fabricating laminate nanomolds and nanoparticles therefrom | LIQUIDIA TECHNOLOGIES, INC. (US) | 2012-03-06 | — | — | US | disclosed |