⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2116473 | 0.69 | — | — | |
| SCHEMBL14749866 | 0.65 | — | — | |
| SCHEMBL14751973 | 0.64 | — | — | |
| SCHEMBL12137044 | 0.57 | — | — | |
| SCHEMBL284316 | 0.56 | — | — | |
| SCHEMBL19221976 | 0.49 | — | — | |
| SCHEMBL27604043 | 0.46 | — | — | |
| Tert-Butylamine SCHEMBL5736553 | 0.45 | — | — | |
| Tert-Butylamine SCHEMBL6064515 | 0.45 | FDPS (0.33) | — | |
| SCHEMBL111550 | 0.45 | — | — |
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-20190211046-A1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | BioVersys AG (CH) | 2019-07-11 | — | — | US | disclosed |