⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12124420 | 1.00 | — | — | |
| SCHEMBL9680794 | 1.00 | — | — | |
| SCHEMBL12659388 | 0.97 | NPC1 (0.41) | — | |
| SCHEMBL5158590 | 0.97 | NPC1 (0.41) | — | |
| SCHEMBL5162566 | 0.97 | NPC1 (0.41) | — | |
| SCHEMBL5158585 | 0.97 | NPC1 (0.41) | — | |
| SCHEMBL12659382 | 0.97 | NPC1 (0.41) | — | |
| SCHEMBL6265644 | 0.94 | — | — | |
| SCHEMBL6903625 | 0.94 | — | — | |
| SCHEMBL809617 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113845407-B | Method for preparing ortho-cyclohexanedione | 八叶草健康产业研究院(厦门)有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-113845407-A | Method for preparing ortho-cyclohexanedione | 八叶草健康产业研究院(厦门)有限公司 | 2021-12-28 | — | — | CN | disclosed |
| US-20090018167-A1 | Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states | Robinson, Thomas Philip (US) | 2009-01-15 | — | — | US | disclosed |
| US-5169958-A | Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent | BASF AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |
| EP-0480242-A2 | Method for the production of alpha,beta-unsaturated carbonyl compounds | BASF Aktiengesellschaft (DE) | 1992-04-15 | — | — | EP | disclosed |
| US-4668827-A | CYCLOHEXANONE, ALIPHATIC ALDEHYDE, OIL IN WATER EMULSIONS | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1987-05-26 | — | — | US | disclosed |