⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3168881 | 0.72 | — | — | |
| SCHEMBL7095468 | 0.67 | — | — | |
| SCHEMBL22361867 | 0.65 | — | — | |
| SCHEMBL858379 | 0.64 | — | — | |
| SCHEMBL5200306 | 0.64 | — | — | |
| SCHEMBL2483344 | 0.62 | — | — | |
| SCHEMBL14064611 | 0.61 | — | — | |
| SCHEMBL4648921 | 0.61 | — | — | |
| SCHEMBL2435746 | 0.59 | — | — | |
| SCHEMBL11837930 | 0.59 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2686299-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | claimed |
| WO-2012123432-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | claimed |
| EP-2331512-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | claimed |
| WO-2010025833-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |
| EP-2686299-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012123432-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |
| EP-2331512-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| EP-2215086-A1 | PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST | Sumitomo Chemical Company, Limited (JP) | 2010-08-11 | — | — | EP | disclosed |
| WO-2010025833-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| EP-2125789-A1 | PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS | Bayer CropScience AG (DE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2009066786-A1 | PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-05-28 | — | — | WO | disclosed |
| WO-2008077483-A1 | PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS | BAYER CROPSCIENCE AG (DE) | 2008-07-03 | — | — | WO | disclosed |