⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19853482 | 0.87 | CYP2D6 (0.34) | — | |
| SCHEMBL20613739 | 0.86 | — | — | |
| SCHEMBL24688713 | 0.84 | — | — | |
| SCHEMBL27099573 | 0.84 | — | — | |
| SCHEMBL27276001 | 0.78 | CARM1 (0.31) | — | |
| SCHEMBL26633150 | 0.78 | — | — | |
| SCHEMBL26633152 | 0.78 | — | — | |
| SCHEMBL20368753 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL20676376 | 0.76 | CYP2D6 (0.31) | — | |
| SCHEMBL17679890 | 0.76 | CHRNA7 (0.31) | — |
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-11168090-B2 | Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2021-11-09 | — | — | US | disclosed |
| EP-3885342-A1 | BICYCLIC INHIBITORS OF PAD4 | Padlock Therapeutics, Inc. (US) | 2021-09-29 | — | — | EP | disclosed |
| US-20200055860-A1 | SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS | ARRAY BIOPHARMA INC | 2020-02-20 | — | — | US | disclosed |