⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28683 | 0.80 | — | — | |
| SCHEMBL27967576 | 0.80 | — | — | |
| Ethylene SCHEMBL27596008 | 0.74 | — | — | |
| SCHEMBL28349544 | 0.69 | ALDH1A1 (0.44) | — | |
| Methyl Alcohol SCHEMBL28066696 | 0.65 | — | — | |
| Hypochlorous Acid SCHEMBL28791243 | 0.65 | — | — | |
| Hydrogen Peroxide SCHEMBL28001763 | 0.65 | — | — | |
| SCHEMBL243963 | 0.65 | — | — | |
| SCHEMBL123571 | 0.65 | — | — | |
| SCHEMBL2669 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102361842-B | Separation of r-1233 from hydrogen fluoride | ARKEMA INC | 2015-06-03 | — | — | CN | disclosed |