⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4914347 | 1.00 | — | — | |
| SCHEMBL28589967 | 1.00 | — | — | |
| SCHEMBL1625646 | 0.89 | — | — | |
| SCHEMBL6444441 | 0.89 | — | — | |
| SCHEMBL7016675 | 0.89 | — | — | |
| SCHEMBL2200874 | 0.87 | HPGD (0.49) | — | |
| SCHEMBL27530374 | 0.87 | HPGD (0.49) | — | |
| SCHEMBL31079599 | 0.85 | PDK1 (0.41) | — | |
| SCHEMBL10419861 | 0.84 | PDK1 (0.39) | — | |
| SCHEMBL25270360 | 0.83 | PDK1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113105475-B | Inhibitors of bruton's tyrosine kinase and methods of use thereof | 詹森药业有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-114728905-A | Therapeutic compounds and methods of use | 基因泰克公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-111187277-B | Thienopyrimidine derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-113105475-A | Inhibitors of bruton's tyrosine kinase and methods of use thereof | 詹森药业有限公司 | 2021-07-13 | — | — | CN | disclosed |