⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12122486 | 1.00 | — | — | |
| SCHEMBL1848491 | 1.00 | — | — | |
| SCHEMBL5380377 | 1.00 | — | — | |
| SCHEMBL10613631 | 1.00 | — | — | |
| SCHEMBL1848490 | 1.00 | — | — | |
| Ethylene Glycol SCHEMBL1425224 | 0.94 | AKR1B1 (0.39) | — | |
| Ethylene Glycol SCHEMBL6673939 | 0.94 | AKR1B1 (0.39) | — | |
| SCHEMBL8014451 | 0.79 | AKR1B1 (0.53) | — | |
| SCHEMBL8014456 | 0.79 | AKR1B1 (0.53) | — | |
| SCHEMBL7122448 | 0.78 | AKR1B1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110282075-A1 | METHOD FOR PREPARING VITTATALACTONE | ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) | 2011-11-17 | — | — | US | disclosed |