⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6200921 | 1.00 | — | — | |
| SCHEMBL17423799 | 1.00 | — | — | |
| SCHEMBL7523555 | 0.73 | — | — | |
| SCHEMBL23581085 | 0.73 | — | — | |
| SCHEMBL7523554 | 0.73 | — | — | |
| SCHEMBL1119095 | 0.71 | — | — | |
| SCHEMBL14599339 | 0.65 | — | — | |
| SCHEMBL10981310 | 0.65 | KEAP1 (0.32) | — | |
| SCHEMBL2589699 | 0.65 | — | — | |
| SCHEMBL27918599 | 0.65 | KEAP1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1048658-B1 | ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES | SANKYO CO (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-6288059-B1 | ANTIASTHMATIC, ANTIALLERGEN AGENTS; URINARY INCONTINENCE; NATURAL KILLER CELL RECEPTOR AND TACHYKININ ANTAGONISTS | SANKYO COMPANY, LIMITED (JP) | 2001-09-11 | — | — | US | disclosed |
| CN-1284070-A | Alicyclic acylated heterocyclic derivatives | SANKYO CO (JP) | 2001-02-14 | — | — | CN | disclosed |
| EP-1048658-A1 | ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES | Sankyo Company Limited (JP) | 2000-11-02 | — | — | EP | disclosed |