⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9051813 | 0.76 | NOS2 (0.53) | — | |
| Cyclohexane Carboxamide SCHEMBL9031061 | 0.73 | CES2 (0.52) | — | |
| Carbamic Acid SCHEMBL28487370 | 0.73 | CES2 (0.52) | — | |
| SCHEMBL28268382 | 0.72 | CES2 (0.50) | — | |
| SCHEMBL20604006 | 0.72 | — | — | |
| SCHEMBL27593385 | 0.72 | CES2 (0.50) | — | |
| SCHEMBL8141562 | 0.72 | — | — | |
| SCHEMBL25485911 | 0.71 | CES2 (0.58) | — | |
| SCHEMBL351674 | 0.71 | — | — | |
| SCHEMBL217428 | 0.71 | CES2 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101522661-A | Compounds and compositions as protein kinase inhibitors | IRM LLC (VG) | 2009-09-02 | — | — | CN | claimed |
| CN-101522661-A | Compounds and compositions as protein kinase inhibitors | IRM LLC (VG) | 2009-09-02 | — | — | CN | disclosed |