⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28042295 | 0.79 | CYP3A4 (0.32) | — | |
| SCHEMBL16899535 | 0.77 | — | — | |
| SCHEMBL28042059 | 0.76 | — | — | |
| SCHEMBL28824225 | 0.75 | EPHX1 (0.38) | — | |
| SCHEMBL28042071 | 0.74 | — | — | |
| SCHEMBL28042316 | 0.72 | — | — | |
| SCHEMBL2631386 | 0.69 | — | — | |
| SCHEMBL2506346 | 0.69 | — | — | |
| SCHEMBL2553367 | 0.69 | SLC7A5 (0.41) | — | |
| Hydrochloric Acid SCHEMBL8031637 | 0.67 | — | — |
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-105130871-A | Pyrrolidone sulfur derivatives and their preparation method and application | UNIV NANJING AGRICULTURAL | 2015-12-09 | — | — | CN | disclosed |