⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6449178 | 0.82 | LMNA (0.31) | — | |
| SCHEMBL31197271 | 0.80 | — | — | |
| SCHEMBL6253371 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL646688 | 0.80 | NFKB1 (0.35) | — | |
| SCHEMBL6552184 | 0.78 | LMNA (0.36) | — | |
| SCHEMBL6448123 | 0.78 | LMNA (0.36) | — | |
| SCHEMBL23149 | 0.77 | — | — | |
| SCHEMBL6058484 | 0.76 | — | — | |
| SCHEMBL6451615 | 0.76 | — | — | |
| SCHEMBL1023534 | 0.75 | NFKB1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7563549-B2 | Imaging member | XEROX CORPORATION (US) | 2009-07-21 | — | — | US | disclosed |