⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3057463 | 0.75 | — | — | |
| SCHEMBL5162391 | 0.72 | — | — | |
| SCHEMBL20221108 | 0.69 | L3MBTL1 (0.33) | — | |
| SCHEMBL27744266 | 0.68 | — | — | |
| SCHEMBL4977714 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL5689451 | 0.67 | — | — | |
| SCHEMBL27813127 | 0.67 | — | — | |
| SCHEMBL27744267 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL15906738 | 0.67 | — | — | |
| SCHEMBL20054634 | 0.66 | MAPK1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023094654-A1 | ACETOACETATE BASED KETALS | ARXADA AG (CH) | 2023-06-01 | — | — | WO | disclosed |
| US-20230147257-A1 | PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS | DONG-A ST CO., LTD. (KR) | 2023-05-11 | — | — | US | disclosed |
| EP-4136088-A1 | PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS | Dong-A ST Co., Ltd. (KR) | 2023-02-22 | — | — | EP | disclosed |
| WO-2021210970-A1 | PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS | DONG-A ST CO., LTD. (KR) | 2021-10-21 | — | — | WO | disclosed |
| CN-102186845-B | S1P receptor modulators and their purposes | 阿卡制药有限公司 | 2016-09-07 | — | — | CN | disclosed |