⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29121655 | 0.98 | KISS1R (0.32) | — | |
| SCHEMBL19194993 | 0.78 | — | — | |
| SCHEMBL15892730 | 0.75 | — | — | |
| SCHEMBL17427954 | 0.75 | — | — | |
| SCHEMBL20268067 | 0.75 | — | — | |
| SCHEMBL30120580 | 0.74 | — | — | |
| SCHEMBL17154462 | 0.73 | — | — | |
| SCHEMBL13568561 | 0.72 | — | — | |
| SCHEMBL17724899 | 0.72 | — | — | |
| SCHEMBL18088172 | 0.72 | — | — |
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-117222646-A | KRAS G12C inhibitors and uses thereof | 苏州赞荣医药科技有限公司 | 2023-12-12 | — | — | CN | disclosed |
| WO-2023040989-A1 | KRAS G12C INHIBITORS AND USES THEREOF | SUZHOU ZANRONG PHARMA LIMITED (CN) | 2023-03-23 | — | — | WO | disclosed |