⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3721998 | 0.73 | — | — | |
| SCHEMBL10395864 | 0.67 | — | — | |
| SCHEMBL8616091 | 0.65 | — | — | |
| SCHEMBL8602031 | 0.65 | — | — | |
| SCHEMBL30535986 | 0.65 | — | — | |
| SCHEMBL9809176 | 0.65 | — | — | |
| SCHEMBL5162485 | 0.65 | — | — | |
| SCHEMBL29374909 | 0.65 | — | — | |
| SCHEMBL10647927 | 0.62 | — | — | |
| SCHEMBL3722001 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113620925-B | Synthetic method of fluorine-containing monomer 2, 2-difluoro-4, 5-bis (trifluoromethyl) -1, 3-dioxyheterocycle | 四川轻化工大学 | 2022-04-15 | — | — | CN | claimed |
| CN-113620925-B | Synthetic method of fluorine-containing monomer 2, 2-difluoro-4, 5-bis (trifluoromethyl) -1, 3-dioxyheterocycle | 四川轻化工大学 | 2022-04-15 | — | — | CN | disclosed |