⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27981606 | 0.67 | — | — | |
| SCHEMBL641682 | 0.67 | — | — | |
| SCHEMBL3885051 | 0.64 | — | — | |
| SCHEMBL3883020 | 0.64 | — | — | |
| SCHEMBL2841180 | 0.63 | — | — | |
| SCHEMBL3885055 | 0.63 | — | — | |
| SCHEMBL8311400 | 0.63 | — | — | |
| SCHEMBL4881031 | 0.61 | — | — | |
| SCHEMBL5261551 | 0.61 | — | — | |
| SCHEMBL9312137 | 0.61 | — | — |
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-105085525-A | Isoquinoline sulfonyl derivatives as RHO kinases inhibitor | NANJING MINGDE NEW DRUG RES AND DEV CO LTD | 2015-11-25 | — | — | CN | disclosed |