⚠ 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 | |
|---|---|---|---|---|
| Pentachloroethane SCHEMBL4728 | 0.89 | — | — | |
| Pentachloroethane SCHEMBL11767822 | 0.84 | LMNA (0.39) | — | |
| Pentachloroethane SCHEMBL21219225 | 0.80 | TDP1 (0.50) | — | |
| Hexachloroethane SCHEMBL11296738 | 0.80 | LMNA (0.36) | — | |
| Pentachloroethane SCHEMBL8759977 | 0.76 | LMNA (0.33) | — | |
| Pentachloroethane SCHEMBL9751639 | 0.76 | — | — | |
| Pentachloroethane SCHEMBL20954060 | 0.76 | LMNA (0.33) | — | |
| Pentachloroethane SCHEMBL21219234 | 0.73 | TSHR (0.42) | — | |
| Pentachloroethane SCHEMBL8759275 | 0.70 | — | — | |
| Pentachloroethane SCHEMBL11500965 | 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-106475084-A | A kind of non-metallic catalyst and its application in gas phase catalysis tetrachloro-ethylene | 中国科学院上海高等研究院 | 2017-03-08 | — | — | CN | disclosed |