⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20973 | 0.95 | — | — | |
| SCHEMBL28104640 | 0.95 | ALDH1A1 (0.54) | — | |
| SCHEMBL8468383 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL5444116 | 0.87 | ALDH1A1 (0.47) | — | |
| SCHEMBL8431619 | 0.81 | ALDH1A1 (0.41) | — | |
| Trichloroacetic Acid SCHEMBL150121 | 0.73 | — | — | |
| SCHEMBL27674272 | 0.73 | ALDH1A1 (0.40) | — | |
| Trichloroacetic Acid SCHEMBL6351681 | 0.73 | — | — | |
| Carbon Tetrachloride SCHEMBL11732614 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL2687749 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106380395-B | A kind of synthetic method of trichloro-acetic chloride | 重庆华歌生物化学有限公司 | 2019-07-12 | — | — | CN | disclosed |