⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14402702 | 0.83 | — | — | |
| SCHEMBL7991916 | 0.75 | — | — | |
| SCHEMBL8293448 | 0.72 | — | — | |
| SCHEMBL8254124 | 0.69 | — | — | |
| SCHEMBL17355065 | 0.69 | — | — | |
| SCHEMBL10080252 | 0.67 | — | — | |
| SCHEMBL14724918 | 0.67 | — | — | |
| SCHEMBL20825081 | 0.67 | — | — | |
| SCHEMBL21170313 | 0.67 | — | — | |
| SCHEMBL14197572 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3082805-B1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | INST FOR DRUG DISCOVERY LLC (US) | 2020-02-05 | — | — | EP | disclosed |