⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL874338 | 0.74 | — | — | |
| SCHEMBL715733 | 0.74 | — | — | |
| SCHEMBL13857809 | 0.72 | — | — | |
| SCHEMBL11825212 | 0.69 | — | — | |
| SCHEMBL1954334 | 0.67 | — | — | |
| SCHEMBL5519076 | 0.67 | — | — | |
| SCHEMBL2530269 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL6916666 | 0.65 | — | — | |
| SCHEMBL15062197 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL13649507 | 0.65 | ALDH1A1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105884757-A | Polysubstituted sulfo-pyrrolidone derivative synthesis method | 江苏师范大学 | 2016-08-24 | — | — | CN | claimed |
| CN-105884757-A | Polysubstituted sulfo-pyrrolidone derivative synthesis method | 江苏师范大学 | 2016-08-24 | — | — | CN | disclosed |