⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873565 | 0.97 | — | — | |
| SCHEMBL28050407 | 0.93 | — | — | |
| SCHEMBL15910004 | 0.85 | CES2 (0.39) | — | |
| SCHEMBL873570 | 0.84 | CES2 (0.67) | — | |
| SCHEMBL873874 | 0.84 | — | — | |
| SCHEMBL18759144 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL25248339 | 0.81 | CES2 (0.63) | — | |
| SCHEMBL11305314 | 0.81 | CES2 (0.63) | — | |
| SCHEMBL2650157 | 0.81 | CES2 (0.72) | — | |
| SCHEMBL6159646 | 0.81 | CES2 (0.72) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108295073-B | Polyfluoro compounds as bruton's tyrosine kinase inhibitors | 浙江导明医药科技有限公司 | 2020-06-16 | — | — | CN | disclosed |
| CN-108295073-A | Multi-fluorinated compounds are as bruton's tyrosine kinase inhibitor | 浙江导明医药科技有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-106061976-B | Polyfluoro compounds as bruton's tyrosine kinase inhibitors | 浙江导明医药科技有限公司 | 2018-05-15 | — | — | CN | disclosed |
| CN-106061976-A | Polyfluoro compounds as bruton's tyrosine kinase inhibitors | 浙江导明医药科技有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-102952118-B | Poly-(ADP-ribose) AG14361, preparation method and its usage | SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) | 2016-03-23 | — | — | CN | disclosed |
| CN-105017256-A | Polyfluorinated compound Bruton tyrosine kinase inhibitor | ZHEJIANG DAOMING PHARMACEUTICAL CO LTD | 2015-11-04 | — | — | CN | disclosed |