⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6618 | 0.83 | — | — | |
| SCHEMBL1164553 | 0.83 | KDM4E (0.34) | — | |
| SCHEMBL45941 | 0.83 | KDM4E (0.34) | — | |
| SCHEMBL1343696 | 0.83 | KDM4E (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL16007514 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1200019 | 0.79 | — | — | |
| SCHEMBL28386367 | 0.79 | — | — | |
| SCHEMBL10645949 | 0.78 | IRAK4 (0.35) | — | |
| SCHEMBL10645954 | 0.78 | IRAK4 (0.35) | — | |
| SCHEMBL20560427 | 0.78 | KDM4E (0.30) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160304556-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC (US) | 2016-10-20 | — | — | US | disclosed |
| US-20150087600-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC (US) | 2015-03-26 | — | — | US | disclosed |
| US-8778219-B2 | Ionic liquids for separation of olefin-paraffin mixtures | UT-BATTELLE, LLC (US) | 2014-07-15 | — | — | US | disclosed |
| US-20130338389-A1 | IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES | UT-BATTELLE, LLC (US) | 2013-12-19 | — | — | US | disclosed |
| US-8535560-B2 | Ionic liquids for separation of olefin-paraffin mixtures | UT-BATTELLE, LLC (US) | 2013-09-17 | — | — | US | disclosed |
| WO-2013107405-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2013-07-25 | — | — | WO | disclosed |
| EP-2308854-A1 | 2,3,6-trisubstituted-4-pyrimidone derivatives | Sanofi-Aventis (FR) | 2011-04-13 | — | — | EP | disclosed |
| EP-2305651-A1 | 2,3,6-trisubstituted-4-pyrimidone derivatives | Mitsubishi Tanabe Pharma Corporation (JP) | 2011-04-06 | — | — | EP | disclosed |
| WO-2011008664-A2 | IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES | UT-BATTELLE, LLC (US) | 2011-01-20 | — | — | WO | disclosed |
| US-20110015461-A1 | Ionic Liquids for Separation of Olefin-Paraffin Mixtures | UT-BATTELLE, LLC (US) | 2011-01-20 | — | — | US | disclosed |