⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20865150 | 1.00 | — | — | |
| SCHEMBL8005132 | 1.00 | — | — | |
| SCHEMBL13168480 | 1.00 | — | — | |
| SCHEMBL23075077 | 1.00 | — | — | |
| SCHEMBL4185496 | 1.00 | — | — | |
| SCHEMBL24862084 | 1.00 | — | — | |
| SCHEMBL20865148 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7213381 | 0.97 | CA1 (0.38) | — | |
| SCHEMBL23895433 | 0.97 | CA1 (0.38) | — | |
| SCHEMBL21252681 | 0.97 | CA1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11701354-B2 | Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors | D. E. SHAW RESEARCH, LLC (US) | 2023-07-18 | — | — | US | disclosed |
| WO-2019183364-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |
| WO-2019067843-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. (US) | 2019-04-04 | — | — | WO | disclosed |