⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL868638 | 0.81 | — | — | |
| SCHEMBL30381889 | 0.79 | TDP1 (0.47) | — | |
| SCHEMBL619312 | 0.78 | TDP1 (0.69) | — | |
| Butyramide SCHEMBL12592606 | 0.76 | — | — | |
| Hydrogen Sulfide SCHEMBL29291893 | 0.74 | TDP1 (0.64) | — | |
| SCHEMBL30255411 | 0.74 | TDP1 (0.64) | — | |
| SCHEMBL13379743 | 0.74 | TDP1 (0.64) | — | |
| SCHEMBL8371300 | 0.74 | TDP1 (0.64) | — | |
| SCHEMBL8984748 | 0.74 | TDP1 (0.64) | — | |
| Bicarbonate SCHEMBL28356122 | 0.72 | TDP1 (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 |
|---|---|---|---|---|---|---|---|
| US-7179923-B2 | N-sulfonylaminocarbonyl containing compounds | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2007-02-20 | — | — | US | disclosed |