⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21808534 | 0.72 | CHRNB2 (0.34) | — | |
| SCHEMBL3174694 | 0.72 | CHRNB2 (0.34) | — | |
| SCHEMBL1404442 | 0.72 | CHRNB2 (0.34) | — | |
| SCHEMBL9685481 | 0.71 | CHRNB2 (0.31) | — | |
| SCHEMBL1008154 | 0.70 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL6336086 | 0.70 | CHRNB2 (0.33) | — | |
| SCHEMBL31510752 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL2302714 | 0.70 | CHRNB2 (0.45) | — | |
| Hydrochloric Acid SCHEMBL16178433 | 0.70 | CHRNB2 (0.33) | — | |
| SCHEMBL742194 | 0.70 | CHRNB2 (0.45) | — |
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-2022193982-A1 | PREPARATION AND USE OF KRASG12C MUTEIN INHIBITOR | 药雅科技(上海)有限公司 | 2022-09-22 | — | — | WO | disclosed |