⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21516067 | 0.85 | RXRA (0.31) | — | |
| SCHEMBL20341255 | 0.80 | RXRA (0.30) | — | |
| SCHEMBL21653572 | 0.73 | — | — | |
| SCHEMBL22645179 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL24185043 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL19308850 | 0.70 | RXRA (0.31) | — | |
| SCHEMBL20756637 | 0.69 | ESR1 (0.36) | — | |
| SCHEMBL22725520 | 0.68 | RXRA (0.30) | — | |
| SCHEMBL24517542 | 0.68 | — | — | |
| SCHEMBL22374290 | 0.68 | ESR1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11345708-B2 | Substituted imidazo[1,2-a]imidazoles as modulators of metabotropic glutamate receptor 4 activity | HOFFMANN-LA ROCHE INC. (US) | 2022-05-31 | — | — | US | disclosed |
| US-20200291033-A1 | IMIDAZO[1,2-A]IMIDAZOL-2-ONE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS PARKINSON'S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2020-09-17 | — | — | US | disclosed |