⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28570326 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL12479156 | 0.67 | — | — | |
| SCHEMBL27822448 | 0.64 | CA2 (0.31) | — | |
| SCHEMBL4965863 | 0.64 | — | — | |
| SCHEMBL8586768 | 0.63 | — | — | |
| Oxalic Acid SCHEMBL6090665 | 0.62 | — | — | |
| SCHEMBL22973411 | 0.62 | CAPN1 (0.33) | — | |
| SCHEMBL29228021 | 0.60 | MEN1 (0.31) | — | |
| SCHEMBL28284127 | 0.60 | KCNA3 (0.37) | — | |
| SCHEMBL30589951 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007076474-A1 | NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES | KALYPSYS, INC. (US) | 2007-07-05 | — | — | WO | disclosed |