⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16949789 | 0.58 | — | — | |
| SCHEMBL19676656 | 0.58 | — | — | |
| SCHEMBL9770862 | 0.54 | — | — | |
| SCHEMBL1134720 | 0.54 | — | — | |
| SCHEMBL6904714 | 0.53 | — | — | |
| SCHEMBL7703054 | 0.51 | — | — | |
| SCHEMBL11266654 | 0.51 | — | — | |
| SCHEMBL9442614 | 0.50 | POLB (0.32) | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.49 | RXFP1 (0.33) | — | |
| SCHEMBL10533578 | 0.48 | KDM4E (0.33) | — |
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-8110572-B2 | Inhibitors of protein kinases | ABBOTT LABORATORIES (US) | 2012-02-07 | — | — | US | disclosed |
| US-20090054430-A1 | Inhibitors of Protein Kinases | ABBOTT LABORATORIES (US) | 2009-02-26 | — | — | US | disclosed |