⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20243271 | 0.75 | FDPS (0.31) | — | |
| SCHEMBL19102681 | 0.70 | MEN1 (0.35) | — | |
| SCHEMBL19102682 | 0.69 | — | — | |
| SCHEMBL18632952 | 0.67 | FDPS (0.34) | — | |
| SCHEMBL1354937 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL24424888 | 0.64 | KCNA5 (0.36) | — | |
| SCHEMBL5260439 | 0.64 | — | — | |
| SCHEMBL25934859 | 0.64 | LMNA (0.52) | — | |
| SCHEMBL13900574 | 0.63 | — | — | |
| SCHEMBL4745045 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015154039-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | SYROS PHARMACEUTICALS, INC. (US) | 2015-10-08 | — | — | WO | disclosed |