⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27905888 | 0.97 | — | — | |
| SCHEMBL615411 | 0.90 | — | — | |
| Boric Acid SCHEMBL27984514 | 0.90 | — | — | |
| SCHEMBL28377922 | 0.78 | TDP1 (0.30) | — | |
| SCHEMBL9724411 | 0.73 | — | — | |
| SCHEMBL30987023 | 0.73 | — | — | |
| SCHEMBL8663764 | 0.73 | — | — | |
| SCHEMBL75200 | 0.72 | — | — | |
| SCHEMBL9610651 | 0.72 | — | — | |
| SCHEMBL8848701 | 0.69 | — | — |
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-110407700-A | A kind of decarboxylation of the alkyl carboxylate of no catalyst and decarboxylation Giese Radical Addition | UNIV HAINAN NORMAL | 2019-11-05 | — | — | CN | disclosed |