⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12090891 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL14503026 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL13907661 | 0.77 | — | — | |
| SCHEMBL12173089 | 0.77 | — | — | |
| SCHEMBL13176925 | 0.77 | — | — | |
| SCHEMBL3912069 | 0.74 | — | — | |
| SCHEMBL666609 | 0.74 | — | — | |
| SCHEMBL5162604 | 0.74 | — | — | |
| SCHEMBL6722491 | 0.74 | — | — | |
| SCHEMBL6443759 | 0.74 | — | — |
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-5434289-A | Process for producing optically active β-hydroxyketone | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1995-07-18 | — | — | US | disclosed |