⚠ 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 SCHEMBL15311921 | 0.70 | L3MBTL1 (0.31) | — | |
| SCHEMBL14034413 | 0.57 | — | — | |
| SCHEMBL21815438 | 0.52 | — | — | |
| SCHEMBL3756894 | 0.51 | — | — | |
| SCHEMBL2521267 | 0.50 | — | — | |
| SCHEMBL1145529 | 0.41 | — | — | |
| SCHEMBL25338878 | 0.37 | — | — | |
| SCHEMBL61422 | 0.32 | — | — | |
| Fluoride SCHEMBL31441110 | 0.30 | — | — | |
| SCHEMBL31186546 | 0.30 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119790059-A | Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use | 上海科州药物股份有限公司 | 2025-04-08 | — | — | CN | disclosed |
| US-20240300980-A1 | HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT | SHANGHAI KECHOW PHARMA, INC. (CN) | 2024-09-12 | — | — | US | disclosed |
| CN-114605400-B | Heteroaryl derivatives, process for preparing the same, and pharmaceutical compositions containing the same as active ingredient | 株式会社沃若诺伊 | 2024-09-10 | — | — | CN | disclosed |