⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3988205 | 0.87 | — | — | |
| SCHEMBL12340539 | 0.86 | MAPT (0.33) | — | |
| SCHEMBL3987883 | 0.85 | — | — | |
| SCHEMBL3993828 | 0.81 | — | — | |
| SCHEMBL3988376 | 0.80 | — | — | |
| SCHEMBL3988122 | 0.79 | — | — | |
| SCHEMBL3988534 | 0.79 | — | — | |
| SCHEMBL5880945 | 0.79 | ACACB (0.35) | — | |
| SCHEMBL12340717 | 0.78 | — | — | |
| SCHEMBL3986405 | 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-20040224960-A1 | Pharmaceutical compositions and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-11-11 | — | — | US | disclosed |