⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19312222 | 0.83 | — | — | |
| SCHEMBL20609984 | 0.79 | — | — | |
| SCHEMBL22643672 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL4468978 | 0.77 | CYP2D6 (0.45) | — | |
| SCHEMBL2904999 | 0.77 | — | — | |
| SCHEMBL8395185 | 0.76 | — | — | |
| SCHEMBL598372 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL698895 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL17607578 | 0.75 | — | — | |
| SCHEMBL1129882 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0626365-B1 | Molten fluid aliphatic dicarboxylic acids | HUELS CHEMISCHE WERKE AG (DE) | 1996-12-18 | — | — | EP | claimed |