⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21865053 | 0.74 | — | — | |
| SCHEMBL11624177 | 0.74 | — | — | |
| SCHEMBL28442431 | 0.74 | — | — | |
| SCHEMBL17861575 | 0.74 | — | — | |
| SCHEMBL12989432 | 0.74 | — | — | |
| SCHEMBL3278057 | 0.74 | PDK1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL30901896 | 0.72 | CA12 (0.39) | — | |
| SCHEMBL24170779 | 0.69 | PIK3C3 (0.31) | — | |
| SCHEMBL3921568 | 0.69 | PDK1 (0.50) | — | |
| SCHEMBL24171011 | 0.69 | PIK3C3 (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 |
|---|---|---|---|---|---|---|---|
| WO-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |