⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27224361 | 0.80 | — | — | |
| SCHEMBL1553119 | 0.80 | — | — | |
| SCHEMBL20816988 | 0.76 | — | — | |
| SCHEMBL19550 | 0.74 | — | — | |
| SCHEMBL12211325 | 0.74 | — | — | |
| SCHEMBL13716379 | 0.74 | — | — | |
| SCHEMBL162811 | 0.74 | — | — | |
| SCHEMBL4544347 | 0.73 | — | — | |
| Ether SCHEMBL28268956 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL23299217 | 0.70 | — | — |
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-106543967-B | A kind of refrigerant and preparation method thereof substituting R-410A | 湖北绿冷高科节能技术有限公司 | 2019-04-02 | — | — | CN | disclosed |