⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6086818 | 0.83 | RARA (0.31) | — | |
| SCHEMBL6088216 | 0.82 | HTR2A (0.33) | — | |
| SCHEMBL6086294 | 0.82 | HTR2A (0.35) | — | |
| SCHEMBL6447995 | 0.79 | — | — | |
| SCHEMBL6086740 | 0.79 | RXRA (0.36) | — | |
| SCHEMBL6087079 | 0.77 | HTR2A (0.32) | — | |
| SCHEMBL6086395 | 0.76 | PDE4B (0.36) | — | |
| SCHEMBL6086186 | 0.76 | HIF1A (0.35) | — | |
| SCHEMBL6086703 | 0.76 | RXRA (0.34) | — | |
| SCHEMBL6086567 | 0.76 | RXRA (0.31) | — |
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-20050038098-A1 | Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases | INCYTE CORPORATION | 2005-02-17 | — | — | US | disclosed |