⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9434282 | 0.74 | — | — | |
| SCHEMBL5153426 | 0.72 | — | — | |
| SCHEMBL28675570 | 0.72 | — | — | |
| SCHEMBL27553143 | 0.72 | — | — | |
| SCHEMBL29137437 | 0.69 | — | — | |
| SCHEMBL4696091 | 0.69 | — | — | |
| SCHEMBL1989509 | 0.68 | — | — | |
| SCHEMBL283465 | 0.68 | — | — | |
| SCHEMBL779916 | 0.68 | — | — | |
| SCHEMBL17925957 | 0.67 | — | — |
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-108947850-B | Preparation method of 3,4, 5-trifluoroaniline | 蚌埠中实化学技术有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-108947850-A | A kind of preparation method of 3,4,5- trifluoromethyl aniline | 蚌埠中实化学技术有限公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-104844412-B | A kind of preparation method of 1,2,4-trifluoro-benzene | 浙江林江化工股份有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-104844412-A | Preparation method of 1,2,4-trifluorobenzene | ZHEJIANG LINJIANG CHEMICAL CO LTD | 2015-08-19 | — | — | CN | disclosed |