⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL745709 | 0.68 | TRPV4 (0.30) | — | |
| SCHEMBL6035885 | 0.65 | EGFR (0.32) | — | |
| SCHEMBL7925140 | 0.65 | TRPV4 (0.36) | — | |
| SCHEMBL744488 | 0.65 | MEN1 (0.32) | — | |
| SCHEMBL3022943 | 0.64 | TRPV4 (0.32) | — | |
| SCHEMBL743566 | 0.62 | PGR (0.30) | — | |
| SCHEMBL3531536 | 0.61 | — | — | |
| SCHEMBL2093167 | 0.61 | TSHR (0.41) | — | |
| SCHEMBL2040623 | 0.61 | VCAM1 (0.41) | — | |
| SCHEMBL9176392 | 0.61 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120121692-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER | SHANDONG UNIVERSITY (CN) | 2012-05-17 | — | — | US | disclosed |
| EP-2429292-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER | Georgia State University Research Foundation, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010129858-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2010-11-11 | — | — | WO | disclosed |