⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL351951 | 0.69 | — | — | |
| SCHEMBL3787565 | 0.69 | — | — | |
| SCHEMBL28186342 | 0.69 | — | — | |
| SCHEMBL14637621 | 0.69 | — | — | |
| SCHEMBL23829614 | 0.67 | — | — | |
| SCHEMBL2335522 | 0.65 | — | — | |
| Benzene SCHEMBL5081287 | 0.49 | CA1 (0.71) | — | |
| Benzene SCHEMBL10961254 | 0.49 | CA1 (0.71) | — | |
| Benzene SCHEMBL10964916 | 0.49 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL5052083 | 0.49 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110243821-A1 | CARBON DIOXIDE REDUCTION | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2011-10-06 | — | — | US | disclosed |
| EP-2340119-A1 | CARBON DIOXIDE REDUCTION | Agency for Science, Technology And Research (SG) | 2011-07-06 | — | — | EP | disclosed |
| WO-2010027335-A1 | CARBON DIOXIDE REDUCTION | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-03-11 | — | — | WO | disclosed |
| US-20080262186-A1 | Catalysts for the Production of Polyisocyanates | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2008-10-23 | — | — | US | disclosed |
| WO-2005113626-A3 | CATALYSTS FOR THE PRODUCTION OF POLYISOCYANATES | UNIV UTAH RES FOUND (US) | 2006-08-03 | — | — | WO | disclosed |
| WO-2005113626-A2 | CATALYSTS FOR THE PRODUCTION OF POLYISOCYANATES | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2005-12-01 | — | — | WO | disclosed |