⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2267777 | 0.88 | — | — | |
| SCHEMBL5597368 | 0.72 | — | — | |
| SCHEMBL7754985 | 0.61 | TSHR (0.39) | — | |
| SCHEMBL2229588 | 0.60 | — | — | |
| SCHEMBL5073527 | 0.59 | DGKA (0.33) | — | |
| SCHEMBL14969719 | 0.58 | TSHR (0.50) | — | |
| SCHEMBL3739671 | 0.58 | — | — | |
| SCHEMBL15534909 | 0.57 | THRB (0.37) | — | |
| SCHEMBL17167809 | 0.57 | MMP2 (0.33) | — | |
| SCHEMBL25444889 | 0.56 | TSHR (0.60) | — |
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-1257695-B1 | BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE | NANOGEN RECOGNOMICS GMBH (DE) | 2007-03-07 | — | — | EP | claimed |