⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5240397 | 0.77 | — | — | |
| SCHEMBL31255990 | 0.71 | KDM1A (0.33) | — | |
| SCHEMBL27882958 | 0.70 | — | — | |
| SCHEMBL24223244 | 0.69 | KDM1A (0.32) | — | |
| SCHEMBL20560867 | 0.69 | — | — | |
| SCHEMBL27446512 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL5484701 | 0.67 | POLB (0.46) | — | |
| SCHEMBL3635389 | 0.66 | — | — | |
| SCHEMBL37603 | 0.63 | — | — | |
| SCHEMBL901128 | 0.63 | ESR2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105189481-A | Pyridine cdk9 kinase inhibitors | ABBVIE INC | 2015-12-23 | — | — | CN | disclosed |