⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12354135 | 0.77 | TUBB4A (0.30) | — | |
| SCHEMBL1666243 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL1666244 | 0.57 | MEN1 (0.39) | — | |
| SCHEMBL3219045 | 0.53 | DHFR (0.40) | — | |
| SCHEMBL13423060 | 0.52 | MAOB (0.46) | — | |
| SCHEMBL13259165 | 0.51 | TSHR (0.42) | — | |
| SCHEMBL30445254 | 0.50 | PYCR1 (0.58) | — | |
| SCHEMBL563613 | 0.50 | APP (0.55) | — | |
| SCHEMBL23088675 | 0.50 | EGFR (0.39) | — | |
| SCHEMBL12477379 | 0.50 | TP53 (0.34) | — |
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 9 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-9000188-B2 | Monocyclic cyanoenones and methods of use thereof | TRUSTEES OF DARTMOUTH COLLEGE (US) | 2015-04-07 | — | — | US | disclosed |
| EP-2309860-B1 | MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF | DARTMOUTH COLLEGE (US) | 2014-01-08 | — | — | EP | 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-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-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 |
| 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 |