⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16925525 | 0.97 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL2572038 | 0.97 | ALDH1A1 (0.33) | — | |
| 3,3-Difluoro-Piperidinium SCHEMBL16415145 | 0.92 | — | — | |
| 3,3-Difluoro-Piperidinium SCHEMBL13517 | 0.92 | — | — | |
| 3,3-Difluoro-Piperidinium SCHEMBL230371 | 0.89 | — | — | |
| 3,3-Difluoro-Piperidinium SCHEMBL27771281 | 0.89 | — | — | |
| Piperidine SCHEMBL28268097 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL91644 | 0.79 | — | — | |
| 3,3-Difluoro-Piperidinium SCHEMBL20979780 | 0.77 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL324555 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4678643-A1 | KRAS INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | Sunshine Lake Pharma Co., Ltd. (CN) | 2026-01-14 | — | — | EP | disclosed |
| CN-118791506-A | KRAS inhibitor compounds, pharmaceutical compositions thereof and uses thereof | 广东东阳光药业股份有限公司 | 2024-10-18 | — | — | CN | disclosed |
| WO-2024213122-A1 | KRAS INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 广东东阳光药业股份有限公司 | 2024-10-17 | — | — | WO | disclosed |
| WO-2023020523-A1 | BICYCLIC DERIVATIVES AND USE THEREOF | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2023-02-23 | — | — | WO | disclosed |
| CN-108699077-B | Heterocyclic compounds as RSV inhibitors | 英安塔制药有限公司 | 2021-03-02 | — | — | CN | disclosed |
| US-20170253568-A1 | HOMOPIPERAZINE-BASED CATALYSTS FOR NEUTRALIZATION OF ORGANOPHOSPHORUS-BASED COMPOUNDS | U.S. DEPARTMENT OF ENERGY | 2017-09-07 | — | — | US | disclosed |