⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10077890 | 0.88 | — | — | |
| SCHEMBL10078986 | 0.88 | LMNA (0.42) | — | |
| SCHEMBL10078318 | 0.85 | LMNA (0.46) | — | |
| SCHEMBL10079085 | 0.81 | HTR2A (0.33) | — | |
| SCHEMBL31732568 | 0.81 | OPRM1 (0.31) | — | |
| SCHEMBL25105655 | 0.81 | CHRM2 (0.37) | — | |
| SCHEMBL10079086 | 0.81 | — | — | |
| SCHEMBL3578074 | 0.81 | SLC6A4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL3924692 | 0.79 | SLC6A4 (0.36) | — | |
| SCHEMBL3566711 | 0.79 | TSHR (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210087190-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) | 2021-03-25 | — | — | US | disclosed |
| US-20210078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) | 2021-03-18 | — | — | US | disclosed |
| US-8222274-B2 | Pyrrole derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2012-07-17 | — | — | US | disclosed |
| US-7985764-B2 | Amide derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-07-26 | — | — | US | disclosed |
| US-20090062363-A1 | AMIDE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2009-03-05 | — | — | US | disclosed |
| US-20090036421-A1 | Pyrrole Derivative or Salt Thereof | ASTELLAS PHARMA INC (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1988076-A1 | AMIDE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-11-05 | — | — | EP | disclosed |
| EP-1988075-A1 | PYRROLE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-11-05 | — | — | EP | disclosed |