⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL168677 | 0.98 | — | — | |
| SCHEMBL27815530 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL29350580 | 0.96 | KDM4E (0.31) | — | |
| SCHEMBL11448164 | 0.89 | — | — | |
| Phosphoric Acid SCHEMBL30913886 | 0.87 | — | — | |
| Oxalic Acid SCHEMBL30288221 | 0.87 | — | — | |
| Pyrimidine SCHEMBL29211317 | 0.84 | — | — | |
| Maleic Acid SCHEMBL30353824 | 0.82 | INMT (0.31) | — | |
| SCHEMBL5853366 | 0.81 | — | — | |
| SCHEMBL1127085 | 0.80 | — | — |
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-113493454-B | Quinolizine aza double aromatic ring axial chiral compound and its synthesis method | 南京理工大学 | 2022-05-27 | — | — | CN | disclosed |