⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27500480 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL25964823 | 0.76 | — | — | |
| SCHEMBL812086 | 0.76 | — | — | |
| SCHEMBL12943418 | 0.76 | — | — | |
| SCHEMBL1329635 | 0.74 | — | — | |
| Potassium Ion SCHEMBL2453677 | 0.72 | — | — | |
| SCHEMBL2453173 | 0.72 | — | — | |
| SCHEMBL16348289 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL28956917 | 0.70 | — | — | |
| SCHEMBL15455678 | 0.70 | KDM4E (0.50) | — |
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-4134918-A | ENZYME INHIBITORS, ANTIBODY INHIBITORS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1979-01-16 | — | — | US | disclosed |