⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27397010 | 0.78 | CYP4F2 (0.42) | — | |
| SCHEMBL13361165 | 0.78 | CYP4F2 (0.42) | — | |
| SCHEMBL9273476 | 0.76 | HMGCR (0.42) | — | |
| SCHEMBL9589389 | 0.76 | MGAM (0.37) | — | |
| SCHEMBL2475483 | 0.76 | DGAT1 (0.44) | — | |
| SCHEMBL9540416 | 0.75 | — | — | |
| SCHEMBL11087126 | 0.74 | MAPT (0.44) | — | |
| SCHEMBL2327259 | 0.74 | DGAT1 (0.42) | — | |
| SCHEMBL47401 | 0.74 | — | — | |
| SCHEMBL10976969 | 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 |
|---|---|---|---|---|---|---|---|
| CN-108445102-A | The quantitative analysis method of 3 methylthiol propyl alcohol in a kind of high-salt liquid-state brewing soy sauce | 加加食品集团股份有限公司 | 2018-08-24 | — | — | CN | claimed |
| EP-4389754-A1 | METAL-ORGANIC COORDINATION COMPOUND AND METHOD FOR PRODUCING THE SAME | beeOLED GmbH (DE) | 2024-06-26 | — | — | EP | disclosed |
| CN-110229333-B | Synthetic method of polyimide | 湘潭大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-108445102-A | The quantitative analysis method of 3 methylthiol propyl alcohol in a kind of high-salt liquid-state brewing soy sauce | 加加食品集团股份有限公司 | 2018-08-24 | — | — | CN | disclosed |
| CN-104830533-B | A kind of flavoring essence for increasing the fragrant and sweet rhythm of cigarette fruit | 湖北中烟工业有限责任公司 | 2018-04-24 | — | — | CN | disclosed |
| CN-107531619-A | A kind of method that methionine α hydroxy analogs are prepared from carbohydrates and their derivative | 托普索公司 | 2018-01-02 | — | — | CN | disclosed |
| US-20140179748-A1 | Antiperspirant and Deodorant Compositions | THE PROCTER & GAMBLE COMPANY (US) | 2014-06-26 | — | — | US | disclosed |
| CN-103725727-A | Preparation method of simvastatin ammonium salt | ENZYMEWORKS INC | 2014-04-16 | — | — | CN | disclosed |