⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23211160 | 1.00 | — | — | |
| SCHEMBL28967583 | 0.92 | FAAH (0.36) | — | |
| SCHEMBL5717048 | 0.76 | — | — | |
| SCHEMBL5717115 | 0.75 | — | — | |
| SCHEMBL5717028 | 0.73 | — | — | |
| SCHEMBL4232398 | 0.71 | — | — | |
| SCHEMBL15878423 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL16738412 | 0.70 | — | — | |
| SCHEMBL20958614 | 0.70 | — | — | |
| SCHEMBL693699 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11974999-B2 | Bruton's tyrosine kinase inhibitors | Liao, Xibin (US) | 2024-05-07 | — | — | US | disclosed |
| US-11554118-B2 | Bruton's tyrosine kinase inhibitors | Liao, Xibin (US) | 2023-01-17 | — | — | US | disclosed |
| US-20210121458-A1 | BRUTON'S TYROSINE KINASE INHIBITORS | Suzhou Baijibugong Pharmaceutical Technology Co., Ltd. (CN) | 2021-04-29 | — | — | US | disclosed |
| US-20210107903-A1 | BRUTON'S TYROSINE KINASE INHIBITORS | Suzhou Baijibugong Pharmaceutical Technology Co., Ltd. (CN) | 2021-04-15 | — | — | US | disclosed |