⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL468211 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL825500 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL7369842 | 0.84 | ALDH1A1 (0.38) | — | |
| Carbamic Acid SCHEMBL21617652 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL21617649 | 0.78 | KDM4E (0.35) | — | |
| SCHEMBL21617651 | 0.78 | KDM4E (0.35) | — | |
| SCHEMBL15759843 | 0.76 | — | — | |
| SCHEMBL14316161 | 0.76 | — | — | |
| SCHEMBL27637065 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL9219626 | 0.74 | ATM (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022048631-A1 | COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-03-10 | — | — | WO | disclosed |
| EP-3350178-A1 | NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS | Pfizer Inc (US) | 2018-07-25 | — | — | EP | disclosed |
| WO-2017046675-A1 | NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS | PFIZER INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| EP-2509636-A2 | COMPOSITIONS FOR NUCLEIC ACID DELIVERY | Alnylam Pharmaceuticals, Inc. (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011071860-A2 | COMPOSITIONS FOR NUCLEIC ACID DELIVERY | ALNYLAM PHARMACEUTICALS, INC. (US) | 2011-06-16 | — | — | WO | disclosed |
| US-5998398-A | HERPES VIRUS | GLAXO WELLCOME INC. (US) | 1999-12-07 | — | — | US | disclosed |
| CN-1212683-A | 2-amino-5,6-dichlorobenzimidazole derivatives having antiviral activity | GLAXO GROUP LTD (GB) | 1999-03-31 | — | — | CN | disclosed |