⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1524721 | 0.69 | USP2 (0.36) | — | |
| SCHEMBL5864304 | 0.69 | — | — | |
| SCHEMBL903589 | 0.69 | — | — | |
| SCHEMBL1524634 | 0.67 | USP2 (0.39) | — | |
| SCHEMBL1525289 | 0.67 | KDM4E (0.38) | — | |
| SCHEMBL12654253 | 0.66 | MAPT (0.30) | — | |
| SCHEMBL6333470 | 0.65 | GBA1 (0.41) | — | |
| SCHEMBL28357459 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL876348 | 0.62 | — | — | |
| SCHEMBL17227885 | 0.62 | — | — |
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-2008137102-A2 | METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR | TORREYPINES THERAPEUTICS, INC. (US) | 2008-11-13 | — | — | WO | disclosed |