⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8850719 | 0.96 | HTR2A (0.60) | — | |
| SCHEMBL353865 | 0.80 | HTR2A (0.52) | — | |
| SCHEMBL30410319 | 0.80 | HTR2A (0.52) | — | |
| SCHEMBL29444048 | 0.80 | HTR2A (0.52) | — | |
| Hydrochloric Acid SCHEMBL355946 | 0.78 | HTR2A (0.50) | — | |
| Water SCHEMBL28455469 | 0.78 | HTR2A (0.50) | — | |
| SCHEMBL22270015 | 0.78 | HTR2A (0.50) | — | |
| Bromide SCHEMBL4922157 | 0.78 | HTR2A (0.50) | — | |
| SCHEMBL10080430 | 0.76 | HTR2A (0.56) | — | |
| Hydrochloric Acid SCHEMBL839294 | 0.76 | HTR2A (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007106144-A1 | NOR-SECO-, BIS-NOR-SECO, TRIS-NOR-SECO- AND HIGHER NOR-SECO- CUCURBIT[n]URIL COMPOUNDS | UNIVERSITY OF MARYLAND (US) | 2007-09-20 | — | — | WO | disclosed |