⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1695500 | 1.00 | — | — | |
| SCHEMBL2121202 | 0.82 | HCAR2 (0.42) | — | |
| SCHEMBL5379213 | 0.82 | HCAR2 (0.42) | — | |
| SCHEMBL6129816 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL515304 | 0.80 | HCAR2 (0.36) | — | |
| SCHEMBL3195497 | 0.80 | — | — | |
| SCHEMBL20661621 | 0.80 | — | — | |
| SCHEMBL515303 | 0.80 | HCAR2 (0.36) | — | |
| SCHEMBL4924834 | 0.80 | — | — | |
| SCHEMBL2776885 | 0.78 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107974419-A | A kind of separation method of the production formic acid acetogen for butyric acid of degrading | 中国科学院城市环境研究所 | 2018-05-01 | — | — | CN | disclosed |
| EP-2582453-B1 | TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS | ECOSYNTH NV (BE) | 2016-12-28 | — | — | EP | disclosed |
| CN-102459147-B | Nitro group-containing ether compound and method for producing same | UNIV OKAYAMA NAT UNIV CORP | 2015-07-01 | — | — | CN | disclosed |
| US-8865931-B2 | Transesterification process using mixed salt acetylacetonates catalysts | ECOSYNTH BVBA (BE) | 2014-10-21 | — | — | US | disclosed |
| EP-2582453-A2 | TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS | Ecosynth BVBA (BE) | 2013-04-24 | — | — | EP | disclosed |
| US-20130090492-A1 | TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS | ECOSYNTH BVBA (BE) | 2013-04-11 | — | — | US | disclosed |
| CN-102459147-A | Nitro-containing ether compound and process for producing the same | UNIV OKAYAMA NAT UNIV CORP | 2012-05-16 | — | — | CN | disclosed |
| WO-2011157645-A2 | TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS | ECOSYNTH BVBA (BE) | 2011-12-22 | — | — | WO | disclosed |
| WO-2003013740-A1 | 4- AND 5-AMINO-α, β UNSTATURATED ESTER SOLID SUPPORT TEMPLATES, METHOD OF PREPARATION AND FOR USING THE SAME | ADVANCED SYNTECH, LLC (US) | 2003-02-20 | — | — | WO | disclosed |
| US-4112235-A | Transesterification of carboxylic acids | UOP INC. (US) | 1978-09-05 | — | — | US | disclosed |