⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2903738 | 0.80 | — | — | |
| SCHEMBL10695680 | 0.79 | — | — | |
| SCHEMBL2179497 | 0.79 | — | — | |
| SCHEMBL29775436 | 0.79 | — | — | |
| SCHEMBL4710125 | 0.79 | — | — | |
| SCHEMBL10908198 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL24072898 | 0.76 | CYP2C9 (0.43) | — | |
| SCHEMBL13176982 | 0.75 | PAX8 (0.33) | — | |
| SCHEMBL8734088 | 0.74 | ASAH1 (0.33) | — | |
| SCHEMBL15658136 | 0.74 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0280771-A1 | 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1988-09-07 | — | — | EP | disclosed |