⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27772771 | 0.84 | — | — | |
| SCHEMBL216691 | 0.76 | — | — | |
| SCHEMBL27772928 | 0.74 | — | — | |
| SCHEMBL13187443 | 0.73 | — | — | |
| SCHEMBL11481120 | 0.71 | — | — | |
| SCHEMBL6851114 | 0.71 | — | — | |
| SCHEMBL14012154 | 0.70 | TSHR (0.38) | — | |
| Hydrochloric Acid SCHEMBL3583087 | 0.70 | — | — | |
| SCHEMBL6986100 | 0.68 | BRS3 (0.46) | — | |
| SCHEMBL8124411 | 0.68 | HRH3 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3347018-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASES | Dana-Farber Cancer Institute, Inc. (US) | 2018-07-18 | — | — | EP | disclosed |
| WO-2017044858-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-03-16 | — | — | WO | disclosed |