⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29068622 | 0.81 | — | — | |
| SCHEMBL14993965 | 0.81 | — | — | |
| SCHEMBL779584 | 0.79 | — | — | |
| SCHEMBL11319984 | 0.77 | CTSA (0.32) | — | |
| SCHEMBL9296112 | 0.74 | — | — | |
| SCHEMBL8850161 | 0.74 | — | — | |
| SCHEMBL11312263 | 0.74 | — | — | |
| SCHEMBL14941407 | 0.74 | BTN3A1 (0.37) | — | |
| SCHEMBL779583 | 0.73 | CTSA (0.31) | — | |
| SCHEMBL11309172 | 0.72 | — | — |
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-116745292-A | Substituted pyridotriazine compounds and uses thereof | 吉利德科学公司 | 2023-09-12 | — | — | CN | disclosed |