⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12346130 | 0.72 | — | — | |
| SCHEMBL11970970 | 0.68 | THRB (0.31) | — | |
| SCHEMBL28223794 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL12346163 | 0.63 | — | — | |
| SCHEMBL10115245 | 0.63 | SHBG (0.38) | — | |
| SCHEMBL13884848 | 0.63 | SHBG (0.38) | — | |
| SCHEMBL8216915 | 0.62 | NR1H4 (0.35) | — | |
| SCHEMBL12136803 | 0.62 | NR1H4 (0.35) | — | |
| SCHEMBL12136859 | 0.62 | NR1H4 (0.35) | — | |
| SCHEMBL1665923 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9000188-B2 | Monocyclic cyanoenones and methods of use thereof | TRUSTEES OF DARTMOUTH COLLEGE (US) | 2015-04-07 | — | — | US | disclosed |
| US-20130274480-A1 | MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-10-17 | — | — | US | disclosed |
| US-8314137-B2 | Monocyclic cyanoenones and methods of use thereof | TRUSTESS OF DARTMOUTH COLLEGE (US) | 2012-11-20 | — | — | US | disclosed |
| US-20110196007-A1 | MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-08-11 | — | — | US | disclosed |