⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5829662 | 0.87 | LMNA (0.38) | — | |
| SCHEMBL873892 | 0.87 | LMNA (0.38) | — | |
| SCHEMBL3418340 | 0.86 | LMNA (0.37) | — | |
| Alcohol SCHEMBL15066415 | 0.84 | LMNA (0.35) | — | |
| SCHEMBL6573573 | 0.83 | LMNA (0.34) | — | |
| SCHEMBL8325036 | 0.83 | LMNA (0.34) | — | |
| Fructose SCHEMBL11151878 | 0.81 | CYP2C9 (0.34) | — | |
| SCHEMBL92768 | 0.78 | LMNA (0.41) | — | |
| SCHEMBL215095 | 0.78 | LMNA (0.41) | — | |
| SCHEMBL2015790 | 0.78 | LMNA (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3234163-A1 | MICRO-ORGANISM FOR THE PRODUCTION OF STEREO-SPECIFIC S, S-2,3-BUTANEDIOL | Danmarks Tekniske Universitet (DK) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016097268-A1 | MICRO-ORGANISM FOR THE PRODUCTION OF STEREO-SPECIFIC S, S-2,3-BUTANEDIOL | DANMARKS TEKNISKE UNIVERSITET (DK) | 2016-06-23 | — | — | WO | disclosed |