⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15993807 | 0.77 | — | — | |
| SCHEMBL3611238 | 0.77 | — | — | |
| SCHEMBL15114228 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL10625576 | 0.75 | PGK1 (0.32) | — | |
| SCHEMBL6006214 | 0.73 | CES2 (0.38) | — | |
| SCHEMBL26004726 | 0.73 | MMP8 (0.36) | — | |
| SCHEMBL13103851 | 0.72 | CA2 (0.32) | — | |
| SCHEMBL6853986 | 0.72 | — | — | |
| SCHEMBL1604439 | 0.70 | — | — | |
| SCHEMBL1675844 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3489232-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | Syros Pharmaceuticals, Inc. (US) | 2019-05-29 | — | — | EP | disclosed |