⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22909568 | 0.79 | — | — | |
| SCHEMBL23793708 | 0.73 | CES2 (0.31) | — | |
| SCHEMBL28886977 | 0.73 | — | — | |
| SCHEMBL11131664 | 0.71 | NOTUM (0.31) | — | |
| SCHEMBL8025181 | 0.71 | — | — | |
| SCHEMBL107738 | 0.71 | — | — | |
| SCHEMBL10935805 | 0.71 | — | — | |
| SCHEMBL18920790 | 0.70 | CES2 (0.32) | — | |
| SCHEMBL13170369 | 0.70 | — | — | |
| SCHEMBL8846941 | 0.70 | CES2 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117865771-A | Synthesis method of 2, 3-dichloro benzotrifluoride | 上海泰初化工技术有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-117820176-A | Sulfoxide-based benzotrifluoride compound | 上海泰初化工技术有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-117820180-A | Sulfonyl trifluoro toluene compound | 上海泰初化工技术有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-109790109-B | Process for preparing 3-alkylthio-2-chloro-N- (1-alkyl-1H-tetrazol-5-yl) -4-trifluoromethylbenzamides | 拜耳作物科学股份公司 | 2021-10-22 | — | — | CN | disclosed |