⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13841337 | 0.75 | TP53 (0.35) | — | |
| SCHEMBL5609941 | 0.73 | — | — | |
| SCHEMBL5609720 | 0.73 | — | — | |
| SCHEMBL14184757 | 0.73 | — | — | |
| SCHEMBL27331553 | 0.73 | — | — | |
| SCHEMBL17198876 | 0.73 | SCN9A (0.42) | — | |
| SCHEMBL24921402 | 0.72 | PTGDR (0.32) | — | |
| SCHEMBL22800515 | 0.72 | MAPT (0.36) | — | |
| SCHEMBL17294319 | 0.72 | LMNA (0.36) | — | |
| SCHEMBL21720285 | 0.70 | KDM4E (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1639132-A | N-pyrazinyl-phenylsulphonamides and their use in the treatment of chemokine mediated diseases | ASTRAZENECA AB (SE) | 2005-07-13 | — | — | CN | disclosed |
| CN-1043640-C | Oxazolyl derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1999-06-16 | — | — | CN | disclosed |
| CN-1058215-A | Novel oxazolyl derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1992-01-29 | — | — | CN | disclosed |