⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1936583 | 0.73 | — | — | |
| SCHEMBL3840139 | 0.68 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL10555000 | 0.67 | — | — | |
| SCHEMBL4428965 | 0.62 | — | — | |
| SCHEMBL6794446 | 0.62 | — | — | |
| SCHEMBL1936577 | 0.61 | — | — | |
| SCHEMBL4815554 | 0.61 | — | — | |
| SCHEMBL992414 | 0.59 | — | — | |
| SCHEMBL15116221 | 0.58 | — | — | |
| SCHEMBL3132852 | 0.57 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2178858-B1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2011-12-28 | — | — | EP | claimed |
| EP-2393780-A1 | HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2011-12-14 | — | — | EP | claimed |
| US-20110245242-A1 | Heterocyclically Substituted Anilinopyrimides | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | claimed |
| EP-2331524-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | claimed |
| US-20100317630-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2010-12-16 | — | — | US | claimed |
| WO-2010089119-A1 | HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2010-08-12 | — | — | WO | claimed |
| EP-2178858-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2010-04-28 | — | — | EP | claimed |
| WO-2010025831-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |
| WO-2009015897-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2009-02-05 | — | — | WO | claimed |
| EP-2178858-B1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2011-12-28 | — | — | EP | disclosed |
| EP-2393780-A1 | HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2011-12-14 | — | — | EP | disclosed |
| US-20110245242-A1 | Heterocyclically Substituted Anilinopyrimides | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | disclosed |
| EP-2331524-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| US-20100317630-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2010-12-16 | — | — | US | disclosed |
| WO-2010089119-A1 | HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2010-08-12 | — | — | WO | disclosed |
| EP-2178858-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2010-04-28 | — | — | EP | disclosed |
| WO-2010025831-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| WO-2009015897-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2009-02-05 | — | — | WO | disclosed |
| US-4629495-A | Herbicidal 5-amino-4-cyano-1-phenylpyrazoles | MAY & BAKER LIMITED (GB) | 1986-12-16 | — | — | US | disclosed |