⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25668750 | 0.73 | ERCC5 (0.39) | — | |
| SCHEMBL5036174 | 0.64 | CYP2A6 (0.34) | — | |
| SCHEMBL13486140 | 0.61 | HPGD (0.37) | — | |
| SCHEMBL12157664 | 0.60 | CYP1A2 (0.34) | — | |
| SCHEMBL14332339 | 0.60 | — | — | |
| SCHEMBL27377166 | 0.60 | CDK8 (0.30) | — | |
| SCHEMBL115510 | 0.59 | — | — | |
| SCHEMBL31668718 | 0.58 | ADRA2A (0.45) | — | |
| SCHEMBL5039644 | 0.58 | LMNA (0.33) | — | |
| SCHEMBL27404275 | 0.58 | TGFBR1 (0.36) | — |
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-2022061273-A1 | CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS | PRELUDE THERAPEUTICS, INCORPORATED (US) | 2022-03-24 | — | — | WO | disclosed |