⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7052387 | 0.77 | — | — | |
| SCHEMBL778755 | 0.77 | — | — | |
| SCHEMBL1678470 | 0.77 | — | — | |
| SCHEMBL7054769 | 0.77 | — | — | |
| SCHEMBL7052391 | 0.77 | — | — | |
| SCHEMBL7054765 | 0.77 | — | — | |
| SCHEMBL1934161 | 0.77 | — | — | |
| SCHEMBL10492406 | 0.77 | — | — | |
| SCHEMBL8704779 | 0.75 | — | — | |
| SCHEMBL776631 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110245284-A1 | Alkoxy- and Alkylthio-Substituted Anilinopyrimidines | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | claimed |
| CN-102203070-A | Alkoxy-and alkylthio-substituted anilinopyrimidines | BAYER CROPSCIENCE AG | 2011-09-28 | — | — | CN | 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 |
| US-20110245284-A1 | Alkoxy- and Alkylthio-Substituted Anilinopyrimidines | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | disclosed |
| EP-2331512-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010025833-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| EP-2027095-A1 | HETEROAROYL-SUBSTITUTED ALANINES WITH A HERBICIDAL ACTION | BASF SE (DE) | 2009-02-25 | — | — | EP | disclosed |
| EP-2024327-A1 | BENZOYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007134984-A1 | HETEROAROYL-SUBSTITUTED ALANINES WITH A HERBICIDAL ACTION | BASF SE (DE) | 2007-11-29 | — | — | WO | disclosed |
| WO-2007134971-A1 | BENZOYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2007-11-29 | — | — | WO | disclosed |
| EP-0546409-B1 | Method for the preparation of tetrahydropyrancarboxylic esters | BASF AG (DE) | 1998-10-21 | — | — | EP | disclosed |