⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4597272 | 0.81 | — | — | |
| SCHEMBL6377644 | 0.78 | TDP1 (0.32) | — | |
| SCHEMBL5940287 | 0.78 | TDP1 (0.32) | — | |
| SCHEMBL13870425 | 0.75 | TDP1 (0.30) | — | |
| SCHEMBL10918698 | 0.75 | — | — | |
| SCHEMBL24723774 | 0.73 | — | — | |
| SCHEMBL7056848 | 0.73 | — | — | |
| SCHEMBL11378692 | 0.72 | — | — | |
| SCHEMBL12987170 | 0.72 | ANPEP (0.31) | — | |
| SCHEMBL18104606 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9718834-B2 | Processes and intermediates for making a JAK inhibitor | INCYTE CORPORATION (US) | 2017-08-01 | — | — | US | disclosed |
| US-20170015674-A1 | PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR | INCYTE CORPORATION | 2017-01-19 | — | — | US | disclosed |
| EP-2709997-B1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2016-06-29 | — | — | EP | disclosed |
| US-7141352-B2 | Basic compound, resist composition and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2006-11-28 | — | — | US | disclosed |
| US-20050008968-A1 | Basic compound, resist composition and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2005-01-13 | — | — | US | disclosed |