⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9709032 | 0.77 | — | — | |
| SCHEMBL5151196 | 0.77 | — | — | |
| SCHEMBL1471598 | 0.77 | — | — | |
| SCHEMBL4401859 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3064396 | 0.73 | — | — | |
| Bromide SCHEMBL7169762 | 0.73 | CETP (0.37) | — | |
| Hydrochloric Acid SCHEMBL18209365 | 0.73 | CETP (0.37) | — | |
| Hydrochloric Acid SCHEMBL8533649 | 0.73 | CETP (0.37) | — | |
| Hydrochloric Acid SCHEMBL6373287 | 0.73 | CETP (0.37) | — | |
| SCHEMBL11797163 | 0.73 | — | — |
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-1084099-B1 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | UNIV MICHIGAN STATE (US) | 2003-03-26 | — | — | EP | claimed |