⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8726033 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL27781960 | 0.94 | — | — | |
| SCHEMBL8743122 | 0.94 | — | — | |
| SCHEMBL27568570 | 0.87 | — | — | |
| Isothiocyanate SCHEMBL301411 | 0.84 | — | — | |
| SCHEMBL27812950 | 0.84 | — | — | |
| Catechol SCHEMBL27519251 | 0.80 | ALDH1A1 (0.43) | — | |
| Toluene SCHEMBL20644134 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL27868842 | 0.76 | — | — | |
| SCHEMBL524863 | 0.74 | — | — |
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-107963995-A | A kind of preparation method of cyanuric fluoride | 江西师范大学 | 2018-04-27 | — | — | CN | disclosed |