⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29181891 | 0.82 | — | — | |
| SCHEMBL28468819 | 0.82 | — | — | |
| SCHEMBL16456397 | 0.79 | — | — | |
| SCHEMBL8619836 | 0.79 | — | — | |
| SCHEMBL534092 | 0.76 | — | — | |
| SCHEMBL1049538 | 0.71 | — | — | |
| SCHEMBL3931127 | 0.70 | — | — | |
| SCHEMBL862144 | 0.70 | — | — | |
| SCHEMBL11415671 | 0.67 | — | — | |
| SCHEMBL1276950 | 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 |
|---|---|---|---|---|---|---|---|
| CN-111263755-A | Benzotriazole compounds | 三吉油脂株式会社 | 2020-06-09 | — | — | CN | disclosed |