⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL366678 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL15129732 | 0.58 | — | — | |
| SCHEMBL20719508 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL6298787 | 0.49 | — | — | |
| SCHEMBL16264723 | 0.49 | — | — | |
| SCHEMBL12079525 | 0.42 | — | — | |
| SCHEMBL12079523 | 0.42 | — | — | |
| SCHEMBL7366713 | 0.42 | — | — | |
| SCHEMBL12847209 | 0.42 | — | — | |
| SCHEMBL30117935 | 0.42 | — | — |
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-112601584-A | Isoquinoline compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2021-04-02 | — | — | CN | disclosed |