⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4310963 | 0.77 | CXCR4 (0.33) | — | |
| SCHEMBL1919874 | 0.75 | — | — | |
| SCHEMBL1852112 | 0.73 | — | — | |
| SCHEMBL172898 | 0.69 | — | — | |
| SCHEMBL407643 | 0.69 | — | — | |
| SCHEMBL7897923 | 0.69 | — | — | |
| SCHEMBL3586392 | 0.68 | — | — | |
| SCHEMBL23997839 | 0.68 | — | — | |
| SCHEMBL16299605 | 0.68 | MGLL (0.30) | — | |
| Fluoride SCHEMBL30212642 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017034377-A1 | PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) | DONG-A ST CO., LTD. (KR) | 2017-03-02 | — | — | WO | claimed |
| US-20170057955-A1 | Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) | DONG-A ST CO., LTD. (KR) | 2017-03-02 | — | — | US | claimed |
| EP-2118048-A2 | MALE CONTRACEPTIVE | King's College London (GB) | 2009-11-18 | — | — | EP | claimed |
| WO-2008087421-A2 | MALE CONTRACEPTIVE | KING'S COLLEGE LONDON (GB) | 2008-07-24 | — | — | WO | claimed |
| WO-2017034377-A1 | PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) | DONG-A ST CO., LTD. (KR) | 2017-03-02 | — | — | WO | disclosed |
| US-20170057955-A1 | Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) | DONG-A ST CO., LTD. (KR) | 2017-03-02 | — | — | US | disclosed |