⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31351834 | 0.79 | TSHR (0.43) | — | |
| SCHEMBL9360783 | 0.79 | ADRA2A (0.37) | — | |
| SCHEMBL27622214 | 0.77 | — | — | |
| SCHEMBL16360368 | 0.75 | — | — | |
| SCHEMBL4676667 | 0.75 | — | — | |
| SCHEMBL6827467 | 0.75 | — | — | |
| SCHEMBL5619372 | 0.75 | — | — | |
| SCHEMBL10012365 | 0.75 | — | — | |
| SCHEMBL10856254 | 0.75 | — | — | |
| SCHEMBL1960472 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0032748-B1 | THIOPHENE DERIVATIVES | UBE INDUSTRIES, LTD. (JP) | 1984-08-01 | — | — | EP | disclosed |
| US-4421761-A | FUNGICIDES | HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) | 1983-12-20 | — | — | US | disclosed |
| EP-0032748-A1 | Thiophene derivatives | UBE INDUSTRIES, LTD. (JP) | 1981-07-29 | — | — | EP | disclosed |