⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7286248 | 0.76 | — | — | |
| SCHEMBL6396967 | 0.73 | — | — | |
| SCHEMBL6396963 | 0.73 | — | — | |
| SCHEMBL1412971 | 0.71 | — | — | |
| SCHEMBL294122 | 0.71 | — | — | |
| SCHEMBL5519335 | 0.71 | — | — | |
| SCHEMBL10399018 | 0.71 | — | — | |
| SCHEMBL28774474 | 0.69 | — | — | |
| SCHEMBL84475 | 0.64 | — | — | |
| SCHEMBL4031889 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991018866-A2 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-12-12 | — | — | WO | disclosed |