⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3822361 | 0.85 | THRB (0.32) | — | |
| SCHEMBL244782 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL10593209 | 0.81 | THRB (0.30) | — | |
| SCHEMBL14355619 | 0.79 | THRB (0.33) | — | |
| SCHEMBL6724772 | 0.79 | — | — | |
| SCHEMBL10462000 | 0.79 | THRB (0.33) | — | |
| SCHEMBL145422 | 0.76 | THRB (0.53) | — | |
| SCHEMBL154677 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL22883601 | 0.74 | THRB (0.34) | — | |
| SCHEMBL9408854 | 0.73 | — | — |
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-0212404-A1 | 7-oxo-4-thia-1-azabicyclo [3.2.0] hept-2-ene derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-03-04 | — | — | EP | disclosed |