⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL137370 | 1.00 | — | — | |
| Water SCHEMBL26128586 | 0.97 | — | — | |
| Decane SCHEMBL3404546 | 0.90 | TSHR (0.43) | — | |
| SCHEMBL538733 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL538734 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL19463547 | 0.90 | TSHR (0.43) | — | |
| SCHEMBL4820540 | 0.88 | — | — | |
| SCHEMBL49973 | 0.83 | — | — | |
| SCHEMBL9090482 | 0.81 | TSHR (0.50) | — | |
| SCHEMBL24538 | 0.81 | — | — |
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-20160340279-A1 | SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOAKLKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM | MARQUETTE UNIVERSITY (US) | 2016-11-24 | — | — | US | disclosed |
| WO-2009038544-A1 | AMPHIPHILIC POLYMER AND PROCESSES OF FORMING THE SAME | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2009-03-26 | — | — | WO | disclosed |