⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13724537 | 1.00 | — | — | |
| SCHEMBL799003 | 0.73 | — | — | |
| SCHEMBL736850 | 0.73 | — | — | |
| SCHEMBL736851 | 0.73 | — | — | |
| SCHEMBL19903709 | 0.71 | — | — | |
| SCHEMBL11206900 | 0.71 | — | — | |
| SCHEMBL14338174 | 0.71 | — | — | |
| SCHEMBL17439191 | 0.71 | — | — | |
| SCHEMBL28745264 | 0.71 | — | — | |
| SCHEMBL2852706 | 0.69 | GRIK1 (0.35) | — |
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-4326071-A | ENZYME INHIBITORS AND ANTIBIOTICS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-04-20 | — | — | US | disclosed |