⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8025223 | 1.00 | — | — | |
| SCHEMBL5824243 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL5824248 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL1660576 | 0.72 | — | — | |
| SCHEMBL16217230 | 0.72 | — | — | |
| SCHEMBL4727281 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL4727285 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL14734478 | 0.69 | — | — | |
| SCHEMBL24316174 | 0.67 | — | — | |
| SCHEMBL14808710 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0720605-A1 | AMINOCYCLOHEXYLESTERS AND USES THEREOF | UNIVERSITY OF BRITISH COLUMBIA (CA) | 1996-07-10 | — | — | EP | disclosed |
| WO-1995008544-A1 | AMINOCYCLOHEXYLESTERS AND USES THEREOF | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 1995-03-30 | — | — | WO | disclosed |