⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL141883 | 0.69 | — | — | |
| SCHEMBL11293583 | 0.65 | CES2 (0.33) | — | |
| SCHEMBL5185526 | 0.63 | — | — | |
| Tetrachloroethylene SCHEMBL9113692 | 0.63 | TSHR (0.48) | — | |
| SCHEMBL5598443 | 0.60 | — | — | |
| SCHEMBL6291054 | 0.60 | — | — | |
| Propane SCHEMBL27523266 | 0.59 | — | — | |
| Hypochlorous Acid SCHEMBL11421756 | 0.57 | TSHR (0.40) | — | |
| SCHEMBL23045692 | 0.57 | — | — | |
| SCHEMBL219110 | 0.57 | — | — |
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-106349103-B | A kind of preparation method of N- dichloromethylene amino benzenes compounds | 浙江工业大学 | 2019-04-09 | — | — | CN | disclosed |
| CN-106316880-B | A kind of synthetic method of N dichloromethylenes amino benzenes derivates | 浙江工业大学 | 2018-02-13 | — | — | CN | disclosed |
| CN-106349103-A | Method for preparing N-dichloro methylene aniline type compound | 浙江工业大学 | 2017-01-25 | — | — | CN | disclosed |