⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3200434 | 0.70 | TDP1 (0.38) | — | |
| SCHEMBL10767704 | 0.70 | TDP1 (0.39) | — | |
| SCHEMBL17673155 | 0.66 | TDP1 (0.38) | — | |
| SCHEMBL2067226 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL12274556 | 0.62 | CASP6 (0.41) | — | |
| SCHEMBL3200439 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL9674605 | 0.57 | NOS3 (0.43) | — | |
| SCHEMBL2067228 | 0.56 | KMT2A (0.46) | — | |
| SCHEMBL17113878 | 0.56 | ALDH1A1 (0.38) | — | |
| SCHEMBL1531250 | 0.56 | ALDH1A1 (0.38) | — |
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-20050169941-A1 | Use of amino-oxy functional groups in the preparation of protein-polysaccharide conjugate vaccines | FINA BIOSOLUTIONS, LLC | 2005-08-04 | — | — | US | disclosed |