⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20447983 | 1.00 | — | — | |
| SCHEMBL9878562 | 0.97 | — | — | |
| SCHEMBL60367 | 0.97 | — | — | |
| SCHEMBL23530995 | 0.93 | — | — | |
| SCHEMBL9752565 | 0.93 | — | — | |
| SCHEMBL14110155 | 0.93 | — | — | |
| SCHEMBL23094106 | 0.93 | — | — | |
| SCHEMBL25238619 | 0.93 | — | — | |
| SCHEMBL10771605 | 0.93 | — | — | |
| SCHEMBL10446072 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106433992-A | Conversion of free fatty acids to ethyl esters in the presence of water | 奥罗拉藻类股份有限公司 | 2017-02-22 | — | — | CN | disclosed |