⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10021186 | 0.85 | ACACB (0.31) | — | |
| SCHEMBL22277545 | 0.83 | KDM1A (0.33) | — | |
| SCHEMBL3437330 | 0.83 | KDM1A (0.33) | — | |
| SCHEMBL16501541 | 0.81 | SLC6A2 (0.32) | — | |
| SCHEMBL7736611 | 0.80 | SLC6A2 (0.33) | — | |
| SCHEMBL22277636 | 0.80 | NAAA (0.38) | — | |
| SCHEMBL7736605 | 0.80 | SLC6A2 (0.33) | — | |
| SCHEMBL7736601 | 0.80 | SLC6A2 (0.33) | — | |
| SCHEMBL19189600 | 0.79 | SCN9A (0.32) | — | |
| SCHEMBL12032161 | 0.79 | TLR4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7226644-B2 | Chroman derivative and liquid-crystal composition containing the compound | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2007-06-05 | — | — | US | disclosed |
| US-7226644-B2 | Chroman derivative and liquid-crystal composition containing the compound | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2007-06-05 | — | — | US | disclosed |