⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14119513 | 1.00 | — | — | |
| SCHEMBL24438526 | 0.76 | — | — | |
| SCHEMBL5750509 | 0.75 | — | — | |
| SCHEMBL5773267 | 0.75 | — | — | |
| SCHEMBL347521 | 0.74 | — | — | |
| SCHEMBL196713 | 0.74 | — | — | |
| SCHEMBL11357216 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL9765937 | 0.70 | — | — | |
| SCHEMBL6302704 | 0.70 | — | — | |
| SCHEMBL14119543 | 0.70 | — | — |
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-109810090-A | One kind (3R, 9R) -3- hydroxyl -7- oxo -9- methyl decalactone and preparation method thereof | 绍兴文理学院 | 2019-05-28 | — | — | CN | claimed |
| CN-109810090-A | One kind (3R, 9R) -3- hydroxyl -7- oxo -9- methyl decalactone and preparation method thereof | 绍兴文理学院 | 2019-05-28 | — | — | CN | disclosed |
| CN-105503815-A | Preparation method of synthetic intermediate of Lipitor | UNIV LANZHOU | 2016-04-20 | — | — | CN | disclosed |
| US-6890609-B2 | Ink-jet receptor sheet containing nitrile polymer | AVECIA LIMITED (GB) | 2005-05-10 | — | — | US | disclosed |
| US-20030176566-A1 | Ink-jet receptor sheet containing nitrile polymer | AVECIA INKJET LIMITED (GB) | 2003-09-18 | — | — | US | disclosed |
| WO-2002016143-A1 | INK-JET RECEPTOR SHEET CONTAINING NITRILE POLYMER | AVECIA LIMITED (GB) | 2002-02-28 | — | — | WO | disclosed |