⚠ 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 | |
|---|---|---|---|---|
| Trichloromonofluoromethane SCHEMBL9245307 | 0.95 | ALDH1A1 (0.38) | — | |
| SCHEMBL8620051 | 0.90 | — | — | |
| Trichloromonofluoromethane SCHEMBL8534292 | 0.90 | — | — | |
| Dichlorodifluoromethane SCHEMBL7261256 | 0.90 | — | — | |
| Dichlorotetrafluoroethane SCHEMBL9754437 | 0.86 | ALDH1A1 (0.38) | — | |
| Dichlorodifluoromethane SCHEMBL2504829 | 0.84 | — | — | |
| SCHEMBL5011959 | 0.82 | — | — | |
| SCHEMBL11379074 | 0.82 | ALDH1A1 (0.35) | — | |
| Chloropentafluoroethane SCHEMBL11077860 | 0.82 | ALDH1A1 (0.35) | — | |
| Trichloromonofluoromethane SCHEMBL10897026 | 0.82 | ALDH1A1 (0.30) | — |
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-116242927-A | Method for detecting halogenated greenhouse gases in air | 生态环境部华南环境科学研究所(生态环境部生态环境应急研究所) | 2023-06-09 | — | — | CN | claimed |
| CN-116242927-A | Method for detecting halogenated greenhouse gases in air | 生态环境部华南环境科学研究所(生态环境部生态环境应急研究所) | 2023-06-09 | — | — | CN | disclosed |