⚠ 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 | 0.85 | — | — | |
| SCHEMBL11255714 | 0.80 | — | — | |
| SCHEMBL29066896 | 0.74 | — | — | |
| SCHEMBL5848856 | 0.73 | CES2 (0.33) | — | |
| SCHEMBL28469719 | 0.72 | — | — | |
| SCHEMBL29025781 | 0.72 | — | — | |
| SCHEMBL16553279 | 0.72 | — | — | |
| SCHEMBL1756500 | 0.69 | CES2 (0.38) | — | |
| SCHEMBL29025682 | 0.69 | — | — | |
| SCHEMBL28473663 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106892792-B | Continuous synthesis method and equipment of 3, 4-dichloro benzotrifluoride | 山东道可化学有限公司 | 2023-05-23 | — | — | CN | disclosed |
| CN-109970507-B | Continuous production method and continuous production equipment for 3, 4-dichlorobenzotrifluoride | 山东道可化学有限公司 | 2022-09-27 | — | — | CN | disclosed |
| CN-209901249-U | 3, 4-dichloro benzotrifluoride continuous production equipment | 山东道可化学有限公司 | 2020-01-07 | — | — | CN | disclosed |