⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8901470 | 0.83 | — | — | |
| SCHEMBL9357734 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL2850522 | 0.79 | THRB (0.40) | — | |
| SCHEMBL10653088 | 0.78 | — | — | |
| SCHEMBL1174724 | 0.78 | — | — | |
| SCHEMBL10928120 | 0.74 | THRB (0.32) | — | |
| SCHEMBL8535891 | 0.73 | — | — | |
| SCHEMBL5932017 | 0.72 | THRB (0.31) | — | |
| SCHEMBL10760394 | 0.70 | — | — | |
| SCHEMBL4641210 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5073551-A | Antibiotics | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1991-12-17 | — | — | US | disclosed |