⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12348747 | 0.91 | AKR1C3 (0.33) | — | |
| SCHEMBL14493024 | 0.90 | CNR2 (0.33) | — | |
| SCHEMBL14495809 | 0.86 | CNR2 (0.32) | — | |
| SCHEMBL14300642 | 0.77 | LMNA (0.36) | — | |
| SCHEMBL14508116 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL13892802 | 0.76 | NPC1 (0.36) | — | |
| SCHEMBL14435170 | 0.74 | NPC1 (0.39) | — | |
| SCHEMBL14671240 | 0.72 | NPC1 (0.43) | — | |
| SCHEMBL3561646 | 0.72 | GRIA4 (0.36) | — | |
| SCHEMBL1108699 | 0.71 | LMNA (0.39) | — |
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-2009066061-A1 | LIGHT-EMITTING DEVICE AND MATERIALS THEREFOR | CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) | 2009-05-28 | — | — | WO | disclosed |