⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28497796 | 0.70 | — | — | |
| SCHEMBL27769856 | 0.69 | MEN1 (0.34) | — | |
| SCHEMBL1422494 | 0.69 | DGAT1 (0.35) | — | |
| SCHEMBL1422492 | 0.69 | DGAT1 (0.35) | — | |
| SCHEMBL9905565 | 0.68 | ARG1 (0.33) | — | |
| SCHEMBL28319768 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL27743187 | 0.66 | DGAT1 (0.33) | — | |
| SCHEMBL2419413 | 0.66 | SLC1A3 (0.31) | — | |
| SCHEMBL8065040 | 0.66 | TAS1R3 (0.33) | — | |
| SCHEMBL14156407 | 0.66 | TAS1R3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3688019-A1 | NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 | Centre National de la Recherche Scientifique (CNRS) (FR) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019068538-A1 | NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2019-04-11 | — | — | WO | disclosed |