⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL598663 | 0.72 | — | — | |
| SCHEMBL27497781 | 0.70 | — | — | |
| SCHEMBL1829994 | 0.67 | — | — | |
| SCHEMBL27564970 | 0.65 | — | — | |
| SCHEMBL23346823 | 0.63 | — | — | |
| SCHEMBL23346775 | 0.63 | — | — | |
| SCHEMBL27582766 | 0.63 | — | — | |
| SCHEMBL23985861 | 0.60 | — | — | |
| SCHEMBL21120997 | 0.58 | — | — | |
| SCHEMBL27599011 | 0.58 | — | — |
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-109121411-A | Compound derived from pyrimido-isoquinolin-quinone, their salt, isomers, pharmaceutically acceptable tautomer；Pharmaceutical composition；Preparation method；With their purposes in the treatment of bacteriosis and the bacteriosis of multiple resistance | 智利大学 | 2019-01-01 | — | — | CN | claimed |