⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4555770 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL10886651 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL27936019 | 0.67 | — | — | |
| SCHEMBL18544811 | 0.67 | — | — | |
| SCHEMBL10933076 | 0.67 | — | — | |
| SCHEMBL2967834 | 0.64 | — | — | |
| SCHEMBL23733509 | 0.63 | — | — | |
| SCHEMBL24177011 | 0.62 | — | — | |
| SCHEMBL23658828 | 0.62 | — | — | |
| SCHEMBL8105118 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0121898-B1 | PERSISTENT PERFLUOROALKYL FREE RADICALS, A POLYMERIZATION CATALYST CONTAINING THEM AND PROCESSES FOR POLYMERIZATION | GREEN CROSS CORPORATION (JP) | 1988-07-13 | — | — | EP | disclosed |