⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL190387 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9031347 | 0.90 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL633836 | 0.90 | — | — | |
| SCHEMBL476458 | 0.90 | DPP7 (0.37) | — | |
| SCHEMBL2412914 | 0.87 | — | — | |
| SCHEMBL7142061 | 0.86 | CYP2D6 (0.32) | — | |
| SCHEMBL20661653 | 0.86 | — | — | |
| SCHEMBL3416020 | 0.86 | — | — | |
| SCHEMBL179841 | 0.86 | CYP2D6 (0.32) | — | |
| SCHEMBL24971854 | 0.84 | SMN1; SMN2 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3873903-B1 | SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS AS HPK1 INHIBITORS | GILEAD SCIENCES INC (US) | 2024-01-24 | — | — | EP | disclosed |
| WO-2023141866-A1 | PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE | JANSSEN PHARMACEUTICA NV (BE) | 2023-08-03 | — | — | WO | disclosed |
| US-10822370-B2 | 19-nor neuroactive steroids and methods of use thereof | SAGE THERAPEUTICS, INC. (US) | 2020-11-03 | — | — | US | disclosed |
| EP-3371168-B1 | INDOLIN-2-ONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-05-27 | — | — | EP | disclosed |
| US-20190112331-A1 | 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS, INC. | 2019-04-18 | — | — | US | disclosed |