⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10614405 | 0.89 | — | — | |
| SCHEMBL1446287 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL8746006 | 0.80 | — | — | |
| SCHEMBL8852575 | 0.78 | — | — | |
| SCHEMBL10998008 | 0.75 | HPGD (0.44) | — | |
| SCHEMBL5184019 | 0.75 | — | — | |
| SCHEMBL8852312 | 0.75 | — | — | |
| SCHEMBL7189612 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL7186359 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL1647015 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11322696-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2022-05-03 | — | — | US | disclosed |
| CN-212832849-U | Recovery processing system of chlor-alkali industry dilute sulfuric acid | 沧州大化股份有限公司 | 2021-03-30 | — | — | CN | disclosed |
| EP-3526228-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2020-11-25 | — | — | EP | disclosed |
| EP-3526228-A1 | METAL COMPLEXES | Merck Patent GmbH (DE) | 2019-08-21 | — | — | EP | disclosed |
| EP-1378513-B1 | PROCESSES FOR PRODUCING POLY-ETHYNYL-SUBSTITUTED AROMATIC COMPOUND | JAPAN SCIENCE & TECH CORP (JP) | 2007-09-12 | — | — | EP | disclosed |
| US-6953871-B2 | Processes for producing poly-ethynyl-substituted aromatic compound | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2005-10-11 | — | — | US | disclosed |
| US-20040111000-A1 | Processes for producing poly-ethynyl-substituted aromatic compound | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2004-06-10 | — | — | US | disclosed |
| EP-1378513-A1 | PROCESSES FOR PRODUCING POLY-ETHYNYL-SUBSTITUTED AROMATIC COMPOUND | Japan Science and Technology Corporation (JP) | 2004-01-07 | — | — | EP | disclosed |