⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL287782 | 1.00 | — | — | |
| SCHEMBL10657207 | 1.00 | — | — | |
| SCHEMBL448119 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL10701839 | 0.97 | TDP1 (0.43) | — | |
| SCHEMBL4892248 | 0.97 | GABRP (0.42) | — | |
| SCHEMBL8348664 | 0.97 | GABRP (0.42) | — | |
| SCHEMBL10703918 | 0.95 | GABRP (0.41) | — | |
| SCHEMBL545348 | 0.83 | — | — | |
| SCHEMBL61005 | 0.83 | — | — | |
| SCHEMBL289124 | 0.83 | — | — |
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-4746649-A | Diamino acid derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1988-05-24 | — | — | US | disclosed |