⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17188799 | 0.76 | — | — | |
| SCHEMBL20230878 | 0.74 | — | — | |
| SCHEMBL17188768 | 0.74 | HDAC8 (0.37) | — | |
| SCHEMBL11028112 | 0.70 | HDAC8 (0.34) | — | |
| SCHEMBL20373655 | 0.70 | — | — | |
| SCHEMBL27344327 | 0.69 | — | — | |
| SCHEMBL23188063 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL246975 | 0.67 | POLB (0.48) | — | |
| SCHEMBL4100806 | 0.65 | — | — | |
| SCHEMBL1522063 | 0.65 | — | — |
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-20230141212-A1 | SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS | DICE ALPHA, INC. | 2023-05-11 | — | — | US | disclosed |