⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10962897 | 0.85 | — | — | |
| SCHEMBL2565 | 0.85 | — | — | |
| SCHEMBL10688375 | 0.85 | — | — | |
| Methylene Chloride SCHEMBL11058849 | 0.80 | — | — | |
| Carbon Tetrachloride SCHEMBL5053750 | 0.80 | ALDH1A1 (0.44) | — | |
| SCHEMBL7538289 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL10704225 | 0.76 | — | — | |
| Ethane SCHEMBL11666836 | 0.76 | — | — | |
| SCHEMBL10704230 | 0.76 | — | — | |
| Hexachloroethane SCHEMBL10558017 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0128484-B1 | PROCESS FOR PREPARING CARBOXYLIC ACID | NEW JAPAN CHEMICAL CO.,LTD. (JP) | 1988-01-20 | — | — | EP | disclosed |