⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14138758 | 0.79 | — | — | |
| SCHEMBL14646985 | 0.77 | — | — | |
| SCHEMBL23591972 | 0.77 | — | — | |
| SCHEMBL21414418 | 0.77 | — | — | |
| SCHEMBL21914141 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL692137 | 0.74 | — | — | |
| SCHEMBL255887 | 0.74 | — | — | |
| SCHEMBL3706927 | 0.74 | — | — | |
| SCHEMBL15171079 | 0.73 | KDM4E (0.40) | — | |
| SCHEMBL18973989 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015154038-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | SYROS PHARMACEUTICALS, INC. (US) | 2015-10-08 | — | — | WO | disclosed |
| WO-2015154039-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | SYROS PHARMACEUTICALS, INC. (US) | 2015-10-08 | — | — | WO | disclosed |
| WO-2015048689-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2015-04-02 | — | — | WO | disclosed |