⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9113858 | 0.73 | — | — | |
| SCHEMBL1994826 | 0.73 | — | — | |
| SCHEMBL9047797 | 0.68 | — | — | |
| SCHEMBL12738142 | 0.68 | — | — | |
| SCHEMBL10266692 | 0.68 | — | — | |
| SCHEMBL358401 | 0.68 | — | — | |
| SCHEMBL7498449 | 0.65 | — | — | |
| SCHEMBL12305123 | 0.65 | — | — | |
| SCHEMBL417091 | 0.64 | — | — | |
| SCHEMBL17591768 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |