⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1869589 | 0.91 | MAPT (0.43) | — | |
| SCHEMBL22806878 | 0.85 | MAPT (0.39) | — | |
| SCHEMBL7666182 | 0.84 | MAPT (0.45) | — | |
| SCHEMBL5778032 | 0.82 | PPM1B (0.43) | — | |
| SCHEMBL11301518 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL1867430 | 0.79 | LMNA (0.42) | — | |
| SCHEMBL11961324 | 0.79 | MAPT (0.45) | — | |
| SCHEMBL13282116 | 0.79 | MEN1 (0.39) | — | |
| SCHEMBL1863666 | 0.79 | MAPT (0.38) | — | |
| SCHEMBL28606445 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117957223-A | Quinoline derivatives | 礼蓝动物保健有限公司 | 2024-04-30 | — | — | CN | claimed |
| EP-3873608-A1 | SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS HAVING HPK1 INHIBITORY ACTIVITY | GILEAD SCIENCES, INC. (US) | 2021-09-08 | — | — | EP | disclosed |