⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26039218 | 1.00 | — | — | |
| SCHEMBL12434769 | 0.84 | — | — | |
| SCHEMBL8240229 | 0.84 | — | — | |
| SCHEMBL738203 | 0.84 | — | — | |
| SCHEMBL14364761 | 0.80 | — | — | |
| SCHEMBL26456433 | 0.78 | PDE4D (0.31) | — | |
| SCHEMBL8891952 | 0.74 | PDE4D (0.32) | — | |
| SCHEMBL8891955 | 0.74 | PDE4D (0.32) | — | |
| SCHEMBL1811325 | 0.72 | PDE4D (0.39) | — | |
| SCHEMBL1813149 | 0.72 | PDE4D (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 2 patents. 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 |
| US-20210085796-A1 | ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME | YALE UNIVERSITY | 2021-03-25 | — | — | US | disclosed |