⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5929449 | 0.79 | PTGS2 (0.33) | — | |
| SCHEMBL3856715 | 0.77 | — | — | |
| SCHEMBL12697178 | 0.74 | — | — | |
| SCHEMBL2382893 | 0.73 | VDR (0.33) | — | |
| SCHEMBL13135726 | 0.71 | PPM1B (0.36) | — | |
| SCHEMBL3853587 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL16883333 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL3087267 | 0.67 | PARL (0.50) | — | |
| SCHEMBL64814 | 0.67 | PARL (0.50) | — | |
| SCHEMBL4831836 | 0.67 | — | — |
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-7399577-B2 | Halogenated oxime derivatives and the use thereof | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2008-07-15 | — | — | US | disclosed |
| US-20060246377-A1 | Halogenated oxime derivatives and the use thereof as latent acids | BASF SE (DE) | 2006-11-02 | — | — | US | disclosed |