⚠ 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 | |
|---|---|---|---|---|
| 2-Methylbutanal SCHEMBL43412 | 0.97 | — | — | |
| 2-Methylbutanal SCHEMBL3485198 | 0.97 | — | — | |
| 2-Methylbutanal SCHEMBL933421 | 0.97 | — | — | |
| 2-Methylbutanal SCHEMBL29210931 | 0.97 | TSHR (0.38) | — | |
| 2-Methylbutanal SCHEMBL9164334 | 0.93 | — | — | |
| 2-Methylbutanal SCHEMBL20872392 | 0.93 | — | — | |
| 2-Methylbutanal SCHEMBL5007611 | 0.93 | — | — | |
| 2-Methylbutanal SCHEMBL27567738 | 0.93 | TSHR (0.36) | — | |
| 2-Methylbutanal SCHEMBL976585 | 0.93 | — | — | |
| 2-Methylbutanal SCHEMBL28330156 | 0.93 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1585714-B1 | PROCESSES FOR THE PREPARATION OF HIGHER MOLECULAR WEIGHT KETONES | EASTMAN CHEM CO (US) | 2010-08-04 | — | — | EP | claimed |
| US-20230295203-A1 | METAL ORGANIC COMPOUNDS | UMICORE AG & CO. KG (DE) | 2023-09-21 | — | — | US | disclosed |
| EP-4126889-A1 | METAL ORGANIC COMPOUNDS | Umicore AG & Co. KG (DE) | 2023-02-08 | — | — | EP | disclosed |
| CN-115315428-A | Metal organic compound | 优美科股份公司及两合公司 | 2022-11-08 | — | — | CN | disclosed |
| WO-2021197597-A1 | METAL ORGANIC COMPOUNDS | UMICORE AG & CO. KG (DE) | 2021-10-07 | — | — | WO | disclosed |
| CN-104884417-B | Group 5 metal oxo-alkoxycomplex, method for producing same, and method for producing group 5 metal oxide film | 东曹株式会社 | 2017-03-15 | — | — | CN | disclosed |
| CN-104884417-A | Group 5 metal oxo-alkoxycomplex, method for producing same, and method for producing group 5 metal oxide film | TOSOH CORP | 2015-09-02 | — | — | CN | disclosed |