⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30643915 | 0.73 | — | — | |
| SCHEMBL8057392 | 0.71 | — | — | |
| SCHEMBL1140837 | 0.67 | — | — | |
| SCHEMBL3475481 | 0.66 | — | — | |
| SCHEMBL1828301 | 0.65 | THRB (0.35) | — | |
| SCHEMBL704439 | 0.65 | — | — | |
| SCHEMBL9326879 | 0.63 | — | — | |
| SCHEMBL6232945 | 0.60 | — | — | |
| SCHEMBL28615021 | 0.60 | — | — | |
| SCHEMBL6421247 | 0.58 | — | — |
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-20050261474-A1 | Method of support-based chemical synthesis | MIXTURE SCIENCES, INC. | 2005-11-24 | — | — | US | disclosed |