⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3598334 | 0.87 | KMT2A (0.31) | — | |
| SCHEMBL7769005 | 0.78 | GRIN2D (0.32) | — | |
| SCHEMBL2677918 | 0.78 | — | — | |
| SCHEMBL1721297 | 0.72 | — | — | |
| SCHEMBL3183590 | 0.72 | — | — | |
| SCHEMBL2431614 | 0.72 | — | — | |
| SCHEMBL7000259 | 0.71 | MAPT (0.32) | — | |
| SCHEMBL6839514 | 0.70 | FPR2 (0.32) | — | |
| SCHEMBL8557022 | 0.70 | PARP1 (0.32) | — | |
| SCHEMBL3673489 | 0.69 | KMT2A (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058210-B2 | Arylphenyl-substituted cyclic keto-enols | BAYER CROPSCIENCE AG (DE) | 2011-11-15 | — | — | US | disclosed |
| US-7718706-B2 | Arylphenyl-substituted cyclic keto-enols | BAYER AKTIENGESELLSCHAFT (DE) | 2010-05-18 | — | — | US | disclosed |
| US-20100087320-A1 | ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS | LIEB FOLKER | 2010-04-08 | — | — | US | disclosed |
| US-20080081807-A1 | Arylphenyl-substituted cyclic keto-enols | LIEB FOLKER | 2008-04-03 | — | — | US | disclosed |
| US-7288676-B2 | Arylphenyl-substituted cyclic ketoenols | BAYER CROPSCIENCE AG (DE) | 2007-10-30 | — | — | US | disclosed |
| US-7105471-B2 | Arylphenyl-substituted cyclic ketoenols | BAYER AKTIENGESELLSCHAFT (DE) | 2006-09-12 | — | — | US | disclosed |
| US-20060122061-A1 | Arylphenyl-substituted cyclic ketoenols | LIEB FOLKER | 2006-06-08 | — | — | US | disclosed |
| EP-1056717-B1 | ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS | BAYER CROPSCIENCE AG (DE) | 2005-07-20 | — | — | EP | disclosed |
| US-6716832-B2 | PESTICIDES AND HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2004-04-06 | — | — | US | disclosed |
| US-20020188136-A1 | Arylphenyl-substituted cyclic ketoenols | LIEB FOLKER (DE) | 2002-12-12 | — | — | US | disclosed |
| US-6417370-B1 | HERBICIDES, PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-07-09 | — | — | US | disclosed |
| EP-1056717-A1 | ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS | Bayer Aktiengesellschaft (DE) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043649-A1 | ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-09-02 | — | — | WO | disclosed |