⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL534107 | 0.78 | — | — | |
| SCHEMBL2123662 | 0.73 | — | — | |
| SCHEMBL5081893 | 0.71 | — | — | |
| SCHEMBL9837859 | 0.70 | — | — | |
| Trifluoroacetic Acid SCHEMBL21410248 | 0.69 | NOS1 (0.35) | — | |
| SCHEMBL21742223 | 0.69 | — | — | |
| Water SCHEMBL17582692 | 0.69 | — | — | |
| SCHEMBL9480567 | 0.67 | HDAC3 (0.40) | — | |
| SCHEMBL5078667 | 0.67 | — | — | |
| SCHEMBL20724270 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9409843-B2 | Method for producing 1,1,1,5,5,5-hexafluoroacetylacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2016-08-09 | — | — | US | disclosed |
| US-20160075626-A1 | Method for Producing 1,1,1,5,5,5-Hexafluoroacetylacetone | CENTRAL GLASS COMPANY LIMITED (JP) | 2016-03-17 | — | — | US | disclosed |
| EP-2613785-A1 | HETEROARYLMETHYL AMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012032018-A1 | HETEROARYLMETHYL AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | WO | disclosed |
| EP-2414345-A1 | METHOD FOR PRODUCING PYRIDYL-SUBSTITUTED PYRAZOLES | Bayer CropScience AG (DE) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112178-A1 | METHOD FOR PRODUCING PYRIDYL-SUBSTITUTED PYRAZOLES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2010-10-07 | — | — | WO | disclosed |
| EP-1725239-A1 | 4-(SULFANYL-PYRIMIDIN-4-YLMETHYL)-MORPHOLINE DERIVATIVES AND RELATED COMPOUNDS AS GABA RECEPTOR LIGANDS FOR THE TREATMENT OF ANXIETY, DEPRESSION AND EPILEPSY | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005094828-A1 | 4- (SULFANYL-PYRIMIDIN-4-YLMETHYL) -MORPHOLINE DERIVATIVES AND RELATED COMPOUNDS AS GABA RECEPTOR LIGANDS FOR THE TREATMENT OF ANXIETY, DEPRESSION AND EPILEPSY | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |