⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9043752 | 0.76 | CHEK1 (0.30) | — | |
| SCHEMBL929673 | 0.75 | TACR3 (0.37) | — | |
| SCHEMBL11495279 | 0.71 | KDM4E (0.50) | — | |
| SCHEMBL15017651 | 0.70 | HRH2 (0.34) | — | |
| SCHEMBL9044117 | 0.70 | HRH2 (0.34) | — | |
| SCHEMBL18685657 | 0.66 | ADRA1D (0.30) | — | |
| SCHEMBL24811770 | 0.66 | ADRA1A (0.40) | — | |
| SCHEMBL22776034 | 0.64 | KDM4E (0.46) | — | |
| SCHEMBL3954178 | 0.62 | ADRA2C (0.40) | — | |
| SCHEMBL7842157 | 0.61 | CHRNB4 (0.41) | — |
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-20230025892-A1 | CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE | BIOGEN MA INC. | 2023-01-26 | — | — | US | disclosed |