⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7416905 | 0.80 | GRN (0.33) | — | |
| SCHEMBL9734360 | 0.76 | ACACB (0.36) | — | |
| SCHEMBL4844795 | 0.74 | ACACB (0.39) | — | |
| SCHEMBL7562343 | 0.74 | ACACB (0.39) | — | |
| SCHEMBL28023373 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL4478106 | 0.72 | — | — | |
| SCHEMBL4478097 | 0.72 | — | — | |
| SCHEMBL2831940 | 0.71 | CYP1A2 (0.45) | — | |
| SCHEMBL8171559 | 0.71 | — | — | |
| SCHEMBL28022806 | 0.69 | MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1166781-A1 | PROTEASOME INHIBITORS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2002-01-02 | — | — | EP | disclosed |