⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7511449 | 0.71 | — | — | |
| SCHEMBL20005032 | 0.69 | — | — | |
| SCHEMBL19575608 | 0.63 | — | — | |
| Alpha-Phellandrene SCHEMBL159518 | 0.61 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL159519 | 0.61 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL19816252 | 0.60 | USP2 (0.31) | — | |
| SCHEMBL31255976 | 0.57 | — | — | |
| SCHEMBL440040 | 0.56 | TLR4 (0.33) | — | |
| SCHEMBL11702186 | 0.56 | NFKB1 (0.31) | — | |
| SCHEMBL23717953 | 0.56 | — | — |
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 |