⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28769079 | 0.82 | — | — | |
| SCHEMBL29066896 | 0.77 | — | — | |
| SCHEMBL29025741 | 0.76 | — | — | |
| SCHEMBL16553279 | 0.70 | — | — | |
| SCHEMBL28848752 | 0.69 | — | — | |
| SCHEMBL25147643 | 0.68 | — | — | |
| SCHEMBL23351724 | 0.67 | — | — | |
| SCHEMBL28993799 | 0.65 | — | — | |
| SCHEMBL8511134 | 0.63 | — | — | |
| SCHEMBL11255714 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115959979-A | Preparation method of 3-chloro-4-fluoro-5-trifluoromethyl trifluoroacetophenone | 南京正荣医药化学有限公司 | 2023-04-14 | — | — | CN | disclosed |