⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13424256 | 1.00 | — | — | |
| SCHEMBL31277387 | 0.84 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL17623862 | 0.74 | — | — | |
| SCHEMBL9617951 | 0.74 | — | — | |
| SCHEMBL12831619 | 0.74 | — | — | |
| SCHEMBL8288848 | 0.74 | — | — | |
| SCHEMBL8286745 | 0.74 | — | — | |
| SCHEMBL12831177 | 0.74 | — | — | |
| SCHEMBL12831179 | 0.74 | — | — | |
| SCHEMBL5831602 | 0.74 | — | — |
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-1187800-A4 | IMPROVED PROCESS FOR THE PREPARATION OF 3,4-DIHYDROXYBUTANOIC ACID AND SALTS AND LACTONES DERIVED THEREFROM | UNIV MICHIGAN STATE (US) | 2005-09-28 | — | — | EP | disclosed |
| EP-1187800-A1 | IMPROVED PROCESS FOR THE PREPARATION OF 3,4-DIHYDROXYBUTANOIC ACID AND SALTS AND LACTONES DERIVED THEREFROM | MICHIGAN STATE UNIVERSITY (US) | 2002-03-20 | — | — | EP | disclosed |
| WO-2001081289-A1 | IMPROVED PROCESS FOR THE PREPARATION OF 3,4-DIHYDROXYBUTANOIC ACID AND SALTS AND LACTONES DERIVED THEREFROM | MICHIGAN STATE UNIVERSITY (US) | 2001-11-01 | — | — | WO | disclosed |