⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL184627 | 1.00 | — | — | |
| SCHEMBL183988 | 0.95 | CA12 (0.52) | — | |
| SCHEMBL2556426 | 0.83 | KDM1A (0.59) | — | |
| SCHEMBL11039521 | 0.83 | CA12 (0.56) | — | |
| SCHEMBL11039519 | 0.83 | CA12 (0.56) | — | |
| SCHEMBL11595763 | 0.83 | KDM1A (0.43) | — | |
| SCHEMBL11595765 | 0.83 | KDM1A (0.43) | — | |
| SCHEMBL16085018 | 0.78 | — | — | |
| SCHEMBL619431 | 0.77 | — | — | |
| SCHEMBL619432 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011033009-A1 | N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2011-03-24 | — | — | WO | disclosed |
| WO-2011001089-A1 | NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2011-01-06 | — | — | WO | disclosed |