⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5221231 | 0.81 | KDM1A (0.53) | — | |
| SCHEMBL17982834 | 0.79 | KDM1A (0.54) | — | |
| SCHEMBL18186083 | 0.76 | — | — | |
| SCHEMBL521519 | 0.76 | KDM1A (0.54) | — | |
| Hydrochloric Acid SCHEMBL18742809 | 0.75 | KDM1A (0.53) | — | |
| SCHEMBL9486908 | 0.74 | DPP4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL9486945 | 0.72 | — | — | |
| SCHEMBL23231256 | 0.72 | HDAC3 (0.42) | — | |
| SCHEMBL5668770 | 0.72 | ACHE (0.49) | — | |
| SCHEMBL12696893 | 0.72 | TLR4 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1106804-A | 1-Benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one derivatives | SANOFI SA (FR) | 1995-08-16 | — | — | CN | disclosed |