⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL346825 | 0.79 | — | — | |
| SCHEMBL21177692 | 0.74 | — | — | |
| SCHEMBL222969 | 0.70 | — | — | |
| SCHEMBL5690032 | 0.68 | — | — | |
| Ethylene SCHEMBL27979980 | 0.67 | — | — | |
| SCHEMBL4853132 | 0.67 | — | — | |
| SCHEMBL5691887 | 0.67 | — | — | |
| SCHEMBL15279937 | 0.67 | ALDH1A1 (0.52) | — | |
| SCHEMBL327467 | 0.66 | — | — | |
| SCHEMBL5081522 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015054286-A1 | TREATMENTS FOR NON-CAKING MINE ROCK DUST | IMERYS PIGMENTS, INC. (US) | 2015-04-16 | — | — | WO | claimed |
| EP-2764052-B1 | IRON(III) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS | DOW SILICONES CORP (US) | 2018-07-18 | — | — | EP | disclosed |
| CN-103781807-B | The tri-methyl hexanoic acid vinyl ester copolymers adhesive resin of vinylacetate/3,5,5 | Oxea有限责任公司 | 2018-03-13 | — | — | CN | disclosed |
| EP-3004269-A1 | FLUOROALKYL SILICONES | 3M Innovative Properties Company (US) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014193654-A1 | FLUOROALKYL SILICONES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2014-12-04 | — | — | WO | disclosed |
| WO-2009104722-A1 | ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS | 株式会社クラレ (JP) | 2009-08-27 | — | — | WO | disclosed |
| EP-1631645-A1 | FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES | BASF AKTIENGESELLSCHAFT (DE) | 2006-03-08 | — | — | EP | disclosed |
| WO-2004106470-A1 | FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES | BASF AKTIENGESELLSCHAFT (DE) | 2004-12-09 | — | — | WO | disclosed |
| US-4096192-A | DIOL REACTED WITH ACROLEIN, HYDROFORMYLATION, HYDROGENATION, HYDROLYSIS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-06-20 | — | — | US | disclosed |