⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL151133 | 0.81 | — | — | |
| SCHEMBL1260151 | 0.80 | — | — | |
| SCHEMBL9765941 | 0.78 | CA12 (0.58) | — | |
| SCHEMBL1913706 | 0.78 | CA12 (0.58) | — | |
| SCHEMBL11875682 | 0.78 | CA12 (0.58) | — | |
| SCHEMBL1188228 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL28584833 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL11144102 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL5153326 | 0.76 | — | — | |
| SCHEMBL2860384 | 0.74 | CA12 (0.59) | — |
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-20090247501-A1 | PROTEIN KINASE INHIBITORS | POLARIS GROUP (TW) | 2009-10-01 | — | — | US | disclosed |
| US-7517882-B2 | Protein kinase inhibitors | POLARIS GROUP (CN) | 2009-04-14 | — | — | US | disclosed |