⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22911956 | 0.77 | — | — | |
| SCHEMBL23627445 | 0.74 | NOS3 (0.30) | — | |
| SCHEMBL22911964 | 0.71 | HDAC1 (0.31) | — | |
| SCHEMBL18714259 | 0.69 | DRD2 (0.34) | — | |
| SCHEMBL26178491 | 0.65 | — | — | |
| SCHEMBL24078827 | 0.63 | SIRT6 (0.36) | — | |
| SCHEMBL21536602 | 0.61 | GRM5 (0.46) | — | |
| SCHEMBL20935616 | 0.61 | KDM4E (0.33) | — | |
| SCHEMBL21536559 | 0.61 | ADRA2A (0.32) | — | |
| SCHEMBL24436467 | 0.60 | NNMT (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220388990-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASES | KINNATE BIOPHARMA INC. | 2022-12-08 | — | — | US | disclosed |
| WO-2021011796-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASES | KINNATE BIOPHARMA INC. (US) | 2021-01-21 | — | — | WO | disclosed |