⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2162789 | 0.77 | — | — | |
| SCHEMBL2162793 | 0.77 | — | — | |
| SCHEMBL28212799 | 0.69 | — | — | |
| SCHEMBL4954799 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL251289 | 0.67 | — | — | |
| SCHEMBL27615443 | 0.67 | THRB (0.32) | — | |
| SCHEMBL12575412 | 0.67 | — | — | |
| SCHEMBL27981871 | 0.65 | — | — | |
| SCHEMBL20299109 | 0.65 | — | — | |
| SCHEMBL13678487 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1084099-A4 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | UNIV MICHIGAN STATE (US) | 2001-07-25 | — | — | EP | disclosed |
| EP-1084099-A1 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062861-A1 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 1999-12-09 | — | — | WO | disclosed |