⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28823307 | 1.00 | — | — | |
| SCHEMBL28575171 | 0.80 | PSEN1 (0.31) | — | |
| SCHEMBL23300652 | 0.79 | — | — | |
| SCHEMBL23300653 | 0.79 | — | — | |
| SCHEMBL29823637 | 0.75 | EPHX2 (0.33) | — | |
| SCHEMBL23300626 | 0.63 | CCNT1 (0.32) | — | |
| SCHEMBL23300649 | 0.63 | CCNT1 (0.32) | — | |
| SCHEMBL23328842 | 0.62 | — | — | |
| SCHEMBL23329038 | 0.60 | — | — | |
| SCHEMBL23329035 | 0.60 | MAOB (0.31) | — |
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-114650991-A | Bridged ring-fused aldehyde pyridine derivative and application thereof | 北京伯汇生物技术有限公司 | 2022-06-21 | — | — | CN | disclosed |