⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4984254 | 1.00 | — | — | |
| SCHEMBL27515207 | 0.76 | TYR (0.33) | — | |
| SCHEMBL132606 | 0.75 | TRPA1 (0.47) | — | |
| SCHEMBL7808281 | 0.75 | TRPA1 (0.47) | — | |
| SCHEMBL9719434 | 0.75 | TRPA1 (0.47) | — | |
| SCHEMBL4107537 | 0.75 | TYR (0.46) | — | |
| SCHEMBL9198937 | 0.74 | — | — | |
| SCHEMBL16166848 | 0.73 | CHRNA7 (0.41) | — | |
| SCHEMBL9563390 | 0.72 | — | — | |
| SCHEMBL23368022 | 0.71 | IDO1 (0.38) | — |
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 |