⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18985489 | 0.82 | LPL (0.35) | — | |
| SCHEMBL25773706 | 0.78 | LPL (0.34) | — | |
| SCHEMBL20595129 | 0.76 | LPL (0.38) | — | |
| SCHEMBL21851857 | 0.75 | LPL (0.35) | — | |
| SCHEMBL12533489 | 0.71 | LPL (0.39) | — | |
| SCHEMBL30127073 | 0.71 | LPL (0.39) | — | |
| SCHEMBL20106701 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL26711263 | 0.70 | LPL (0.36) | — | |
| SCHEMBL20742776 | 0.69 | JAK2 (0.36) | — | |
| SCHEMBL1494643 | 0.69 | LPL (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018013597-A1 | 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS | Revolution Medicines, Inc. (US) | 2018-01-18 | — | — | WO | disclosed |