⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4147976 | 1.00 | — | — | |
| SCHEMBL15461419 | 0.82 | — | — | |
| SCHEMBL6549494 | 0.82 | FUCA1 (0.50) | — | |
| SCHEMBL6867646 | 0.82 | FUCA1 (0.50) | — | |
| SCHEMBL6870012 | 0.82 | FUCA1 (0.50) | — | |
| SCHEMBL14094624 | 0.82 | — | — | |
| SCHEMBL12855703 | 0.82 | — | — | |
| SCHEMBL15107903 | 0.82 | — | — | |
| SCHEMBL10050297 | 0.82 | — | — | |
| SCHEMBL13576467 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180044344-A1 | CDK2/4/6 Inhibitors | PFIZER INC. (US) | 2018-02-15 | — | — | US | disclosed |