⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10271622 | 0.81 | ESR1 (0.30) | — | |
| SCHEMBL15779721 | 0.79 | — | — | |
| SCHEMBL7335665 | 0.79 | CCR1 (0.31) | — | |
| SCHEMBL10058005 | 0.78 | NOS3 (0.32) | — | |
| SCHEMBL24302101 | 0.75 | — | — | |
| SCHEMBL16018759 | 0.74 | HTR2C (0.36) | — | |
| SCHEMBL20462611 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL21533955 | 0.73 | NUDT1 (0.30) | — | |
| SCHEMBL21448971 | 0.70 | LMNA (0.35) | — | |
| SCHEMBL15308514 | 0.70 | — | — |
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-20210069188-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | D. E. SHAW RESEARCH, LLC | 2021-03-11 | — | — | US | disclosed |