⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20842942 | 0.83 | — | — | |
| SCHEMBL10735229 | 0.75 | RAD52 (0.35) | — | |
| SCHEMBL14542207 | 0.73 | CHRNB2 (0.33) | — | |
| SCHEMBL12131647 | 0.72 | CHRM2 (0.36) | — | |
| SCHEMBL22704368 | 0.72 | CHRM2 (0.36) | — | |
| SCHEMBL14253891 | 0.70 | CYP2D6 (0.33) | — | |
| SCHEMBL10728188 | 0.70 | CHRNB2 (0.31) | — | |
| SCHEMBL10728076 | 0.70 | — | — | |
| SCHEMBL22270766 | 0.69 | CHRNB2 (0.31) | — | |
| SCHEMBL20031391 | 0.69 | CHRNB2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022104079-A1 | PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS | BIOGEN MA INC. (US) | 2022-05-19 | — | — | WO | disclosed |