⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3604082 | 1.00 | — | — | |
| SCHEMBL7108890 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL248968 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL1484545 | 0.73 | — | — | |
| SCHEMBL13902818 | 0.73 | — | — | |
| SCHEMBL92928 | 0.73 | — | — | |
| SCHEMBL1794941 | 0.71 | — | — | |
| SCHEMBL7818689 | 0.71 | — | — | |
| SCHEMBL10711884 | 0.71 | — | — | |
| SCHEMBL14954972 | 0.71 | APEX1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100105673-A1 | SUBSTITUTED AMINOFURANONES AND THEIR USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-29 | — | — | US | disclosed |
| US-20100022527-A1 | BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES | AICURIS GMBH & CO. KG (DE) | 2010-01-28 | — | — | US | disclosed |