⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10165255 | 0.93 | — | — | |
| SCHEMBL12176137 | 0.84 | — | — | |
| SCHEMBL10165078 | 0.80 | — | — | |
| SCHEMBL22612918 | 0.78 | — | — | |
| SCHEMBL10165073 | 0.75 | L3MBTL1 (0.34) | — | |
| SCHEMBL16982882 | 0.74 | TAS1R3 (0.37) | — | |
| SCHEMBL16786135 | 0.73 | — | — | |
| SCHEMBL847735 | 0.72 | TAS1R3 (0.38) | — | |
| SCHEMBL10165079 | 0.71 | — | — | |
| SCHEMBL22065357 | 0.71 | CYP1A2 (0.33) | — |
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-8410290-B2 | Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120252983-A1 | CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM | CENTRAL GLASS CO., LTD. (JP) | 2012-10-04 | — | — | US | disclosed |
| US-8207351-B2 | Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2012-06-26 | — | — | US | disclosed |
| US-20110269917-A1 | CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM | CENTRAL GLASS CO., LTD. (JP) | 2011-11-03 | — | — | US | disclosed |