⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28375379 | 0.73 | ERN1 (0.40) | — | |
| SCHEMBL2572318 | 0.73 | CYP2A6 (0.34) | — | |
| SCHEMBL7043678 | 0.71 | PDE4D (0.33) | — | |
| SCHEMBL4051088 | 0.70 | PARP1 (0.39) | — | |
| SCHEMBL23658834 | 0.70 | ERN1 (0.44) | — | |
| SCHEMBL18585602 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL31470362 | 0.69 | — | — | |
| SCHEMBL6508612 | 0.69 | LMNA (0.37) | — | |
| SCHEMBL748621 | 0.68 | POLB (0.41) | — | |
| SCHEMBL7350671 | 0.67 | DRD4 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1753428-A2 | KINASE INHIBITORS AS THERAPEUTIC AGENTS | Abbott Laboratories (US) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005110410-A2 | KINASE INHIBITORS AS THERAPEUTIC AGENTS | ABBOTT LABORATORIES (US) | 2005-11-24 | — | — | WO | disclosed |