⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23089780 | 0.80 | POLB (0.38) | — | |
| SCHEMBL23089344 | 0.76 | ACE (0.30) | — | |
| SCHEMBL31601725 | 0.76 | ACE (0.30) | — | |
| SCHEMBL23089713 | 0.76 | — | — | |
| SCHEMBL23089417 | 0.72 | — | — | |
| SCHEMBL1990997 | 0.67 | KEAP1 (0.30) | — | |
| SCHEMBL23089457 | 0.67 | — | — | |
| SCHEMBL6094662 | 0.66 | PIM1 (0.41) | — | |
| SCHEMBL14332616 | 0.66 | — | — | |
| SCHEMBL23089276 | 0.64 | PIM1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11021481-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists | Nimbus Saturn, Inc. (US) | 2021-06-01 | — | — | US | disclosed |