⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL151774 | 0.88 | — | — | |
| SCHEMBL4304745 | 0.77 | — | — | |
| SCHEMBL958886 | 0.77 | — | — | |
| SCHEMBL4157177 | 0.71 | — | — | |
| SCHEMBL3641584 | 0.69 | — | — | |
| SCHEMBL6522408 | 0.68 | — | — | |
| Pyrrole SCHEMBL28608891 | 0.68 | — | — | |
| SCHEMBL5263243 | 0.66 | — | — | |
| SCHEMBL10571835 | 0.65 | — | — | |
| SCHEMBL528648 | 0.63 | — | — |
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-113173931-A | Trifluoromethyl-containing tetrahydrobenzothiophene pyrrole spiro oxoindole compound and preparation method thereof | 成都大学 | 2021-07-27 | — | — | CN | disclosed |