⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL9751396 | 0.82 | — | — | |
| Trichloromonofluoromethane SCHEMBL7938838 | 0.82 | — | — | |
| Dichlorodifluoromethane SCHEMBL9111076 | 0.82 | — | — | |
| SCHEMBL27944 | 0.82 | — | — | |
| SCHEMBL8718302 | 0.82 | — | — | |
| Dichlorotetrafluoroethane SCHEMBL9787113 | 0.78 | — | — | |
| Dichlorodifluoromethane SCHEMBL10879241 | 0.77 | TSHR (0.50) | — | |
| Trichloromonofluoromethane SCHEMBL9437857 | 0.77 | TSHR (0.50) | — | |
| Water SCHEMBL8946287 | 0.77 | — | — | |
| Fluoride SCHEMBL8853743 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5149138-A | Dissolving in halocarbon solvent | ZEMSKY MICHAEL D | 1992-09-22 | — | — | US | disclosed |