⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL145251 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL145249 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL428868 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL30327955 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL2745491 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL794147 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL113491 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL18760018 | 0.82 | THRB (0.41) | — | |
| SCHEMBL24062219 | 0.80 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL4083778 | 0.80 | ALDH1A1 (0.30) | — |
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-9976011-B2 | Polymer composites and fabrications thereof | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2018-05-22 | — | — | US | disclosed |