⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23678033 | 0.82 | — | — | |
| SCHEMBL5263729 | 0.81 | — | — | |
| SCHEMBL6356876 | 0.81 | — | — | |
| SCHEMBL30628842 | 0.80 | KCNH2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL9547234 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL15262136 | 0.79 | KCNH2 (0.44) | — | |
| SCHEMBL178438 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL20339542 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL7435176 | 0.76 | — | — | |
| SCHEMBL16828400 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230234965-A1 | N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-07-27 | — | — | US | disclosed |
| EP-3523311-B1 | SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2023-06-07 | — | — | EP | disclosed |
| EP-3030566-B1 | 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF | JANSSEN BIOPHARMA INC (US) | 2020-07-08 | — | — | EP | disclosed |
| WO-2012075917-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-06-14 | — | — | WO | disclosed |