⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14752958 | 0.79 | CHRNB2 (0.36) | — | |
| SCHEMBL10837828 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL9468778 | 0.75 | — | — | |
| SCHEMBL9384806 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL5886098 | 0.73 | — | — | |
| SCHEMBL607855 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL6722116 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL16659678 | 0.70 | GRM1 (0.35) | — | |
| SCHEMBL607856 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL1585487 | 0.70 | TSHR (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0375449-B1 | Benzopyran-type compounds | BEECHAM GROUP PLC (GB) | 1995-02-15 | — | — | EP | disclosed |
| EP-0375449-A2 | Benzopyran-type compounds | BEECHAM GROUP PLC (GB) | 1990-06-27 | — | — | EP | disclosed |