⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL253619 | 0.91 | HSD11B1 (0.31) | — | |
| SCHEMBL15324014 | 0.86 | CNR2 (0.32) | — | |
| SCHEMBL221879 | 0.86 | HSD11B1 (0.32) | — | |
| SCHEMBL2268711 | 0.85 | CNR2 (0.32) | — | |
| SCHEMBL2770678 | 0.85 | HSD11B1 (0.33) | — | |
| SCHEMBL223518 | 0.83 | CNR2 (0.36) | — | |
| SCHEMBL222680 | 0.81 | HSD11B1 (0.33) | — | |
| SCHEMBL2348248 | 0.81 | HSD11B1 (0.36) | — | |
| SCHEMBL222468 | 0.81 | TP53 (0.31) | — | |
| SCHEMBL1344959 | 0.78 | — | — |
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-8057973-B2 | Nano diamond anticurl backside coating (ACBC) photoconductors | XEROX CORPORATION (US) | 2011-11-15 | — | — | US | disclosed |