⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1101984 | 0.74 | — | — | |
| SCHEMBL14152763 | 0.70 | — | — | |
| SCHEMBL30471938 | 0.70 | — | — | |
| SCHEMBL2047045 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL14151949 | 0.69 | CNR2 (0.30) | — | |
| SCHEMBL16077055 | 0.65 | CNR2 (0.36) | — | |
| SCHEMBL17100811 | 0.62 | CYP19A1 (0.34) | — | |
| SCHEMBL1436986 | 0.59 | HDAC8 (0.35) | — | |
| SCHEMBL690070 | 0.57 | — | — | |
| SCHEMBL15382251 | 0.57 | — | — |
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-2022092687-A1 | COMPOSITION COMPRISING PROTEIN EXPRESSION INHIBITOR FOR ANTIOXIDATION, ANTIINFLAMMATION, AND DEMENTIA PREVENTION OR ALLEVIATION, AND USE THEREOF | 서울대학교산학협력단 | 2022-05-05 | — | — | WO | disclosed |
| EP-1797094-A4 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | MERCK SHARP & DOHME CORP. | 2007-12-20 | — | — | US | disclosed |
| EP-1797094-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | Merck & Co. Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006017409-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-02-16 | — | — | WO | disclosed |
| EP-0273534-A2 | Oxa(thia)diazole derivatives | NIPPON SODA CO., LTD. (JP) | 1988-07-06 | — | — | EP | disclosed |