⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3994093 | 0.92 | KCNQ3 (0.30) | — | |
| SCHEMBL3992331 | 0.91 | — | — | |
| SCHEMBL6793204 | 0.90 | — | — | |
| SCHEMBL6801762 | 0.90 | — | — | |
| SCHEMBL3993698 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL4470441 | 0.87 | TSHR (0.34) | — | |
| SCHEMBL6790747 | 0.87 | — | — | |
| SCHEMBL4470443 | 0.87 | TSHR (0.34) | — | |
| SCHEMBL3986418 | 0.87 | TSHR (0.34) | — | |
| SCHEMBL4465877 | 0.87 | HCRTR1 (0.30) | — |
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 2 patents. 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 | claimed |
| US-20040224960-A1 | Pharmaceutical compositions and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-11-11 | — | — | US | disclosed |