⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28559529 | 0.75 | — | — | |
| SCHEMBL28201741 | 0.73 | — | — | |
| SCHEMBL28523257 | 0.67 | LMNA (0.30) | — | |
| SCHEMBL28531410 | 0.67 | — | — | |
| SCHEMBL404185 | 0.67 | LMNA (0.30) | — | |
| SCHEMBL11672623 | 0.67 | — | — | |
| SCHEMBL28524118 | 0.67 | — | — | |
| SCHEMBL18748275 | 0.67 | LMNA (0.30) | — | |
| SCHEMBL28523070 | 0.65 | — | — | |
| SCHEMBL3682896 | 0.63 | — | — |
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-108178752-B | Method for preparing 3,3, 3-trifluoropropene carbonate and 3,3, 3-trifluoro-1, 2-propylene glycol in co-production mode | 西安近代化学研究所 | 2021-02-23 | — | — | CN | disclosed |