⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27472572 | 1.00 | ALOX5 (0.37) | — | |
| SCHEMBL27828557 | 0.95 | ALOX5 (0.41) | — | |
| SCHEMBL27828541 | 0.92 | ALOX5 (0.40) | — | |
| SCHEMBL14538277 | 0.89 | ALOX5 (0.41) | — | |
| SCHEMBL27874517 | 0.87 | ALOX5 (0.43) | — | |
| SCHEMBL27459920 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL28139344 | 0.78 | — | — | |
| SCHEMBL27574173 | 0.78 | — | — | |
| SCHEMBL9423678 | 0.77 | — | — | |
| SCHEMBL10508925 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3842425-A1 | NOVEL QUINOLINE DERIVATIVE INHIBITOR | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-06-30 | — | — | EP | disclosed |
| WO-2020038460-A1 | NOVEL QUINOLINE DERIVATIVE INHIBITOR | 南京药捷安康生物科技有限公司 | 2020-02-27 | — | — | WO | disclosed |