⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1331358 | 0.91 | — | — | |
| SCHEMBL27679189 | 0.91 | TSHR (0.54) | — | |
| SCHEMBL1331137 | 0.91 | — | — | |
| SCHEMBL1332028 | 0.91 | — | — | |
| SCHEMBL9584 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL11534131 | 0.87 | — | — | |
| Water SCHEMBL27474848 | 0.87 | — | — | |
| Fluoride SCHEMBL27868622 | 0.87 | — | — | |
| SCHEMBL28911636 | 0.87 | — | — | |
| SCHEMBL27717947 | 0.87 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106349103-A | Method for preparing N-dichloro methylene aniline type compound | 浙江工业大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-106316880-A | Synthetic method of N-dichloromethylene aniline derivative | 浙江工业大学 | 2017-01-11 | — | — | CN | disclosed |