⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL62713 | 0.94 | — | — | |
| SCHEMBL7625914 | 0.89 | ALDH1A1 (0.30) | — | |
| Dichlorotetrafluoroethane SCHEMBL10751464 | 0.89 | ALDH1A1 (0.30) | — | |
| Trichloromonofluoromethane SCHEMBL15519496 | 0.89 | ALDH1A1 (0.30) | — | |
| Water SCHEMBL10603465 | 0.89 | — | — | |
| Ethane SCHEMBL8889409 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL11169810 | 0.84 | — | — | |
| Methylene Chloride SCHEMBL10353633 | 0.80 | ALDH1A1 (0.36) | — | |
| Dibromodifluoromethane SCHEMBL11771415 | 0.80 | — | — | |
| SCHEMBL11054784 | 0.80 | — | — |
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-112657527-B | Non-alloy catalyst and preparation method thereof | 中化蓝天集团有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-112657527-A | Non-alloy catalyst and preparation method thereof | 中化蓝天集团有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-112495394-A | Hydrodechlorination catalyst and preparation method of chlorotrifluoroethylene | 中化蓝天集团有限公司 | 2021-03-16 | — | — | CN | disclosed |