⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4874979 | 0.90 | CYP2D6 (0.30) | — | |
| SCHEMBL4878890 | 0.89 | HRH1 (0.33) | — | |
| SCHEMBL4876105 | 0.89 | KCNH2 (0.35) | — | |
| SCHEMBL4867762 | 0.87 | MCHR1 (0.31) | — | |
| SCHEMBL4877135 | 0.87 | BRD4 (0.31) | — | |
| SCHEMBL4874640 | 0.86 | KCNH2 (0.32) | — | |
| SCHEMBL4870574 | 0.86 | MTOR (0.31) | — | |
| SCHEMBL4877243 | 0.85 | KDM4E (0.38) | — | |
| SCHEMBL4877179 | 0.85 | GAK (0.35) | — | |
| SCHEMBL4878855 | 0.84 | MAPT (0.34) | — |
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-20080051384-A1 | ANTIVIRAL AGENTS | GENELABS TECHNOLOGIES, INC. | 2008-02-28 | — | — | US | disclosed |