⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16592261 | 0.84 | — | — | |
| SCHEMBL8648027 | 0.82 | GRIN2D (0.35) | — | |
| SCHEMBL3183590 | 0.80 | — | — | |
| SCHEMBL3180158 | 0.80 | — | — | |
| SCHEMBL1721297 | 0.80 | — | — | |
| SCHEMBL2428035 | 0.76 | HTR2A (0.35) | — | |
| SCHEMBL16592262 | 0.74 | — | — | |
| SCHEMBL14998144 | 0.73 | — | — | |
| SCHEMBL6839193 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL3176743 | 0.72 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8673818-B2 | C2-phenyl-substituted cyclic ketonols | BAYER AKTIENGESELLSCHAFT (DE) | 2014-03-18 | — | — | US | disclosed |
| US-8334300-B2 | C2-phenyl-substituted cyclic ketonols | BAYER AKTIENGESELLSHAFT (DE) | 2012-12-18 | — | — | US | disclosed |
| US-20120238450-A1 | C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS | BAYER AKTIENGESELLSCHAFT (DE) | 2012-09-20 | — | — | US | disclosed |
| US-8193120-B2 | C2-phenyl-substituted cyclic ketonols | BAYER AKTIENGESELLSCHAFT (DE) | 2012-06-05 | — | — | US | disclosed |
| US-20110183849-A1 | C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS | BAYER AKTIENGESELLSCHAFT (DE) | 2011-07-28 | — | — | US | disclosed |
| US-20110143943-A1 | C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS | BAYER AKTIENGESELLSCHAFT (DE) | 2011-06-16 | — | — | US | disclosed |
| US-7915282-B2 | Preparation by intramolecular cyclization | BAYER AKTIENGESELLSCHAFT (DE) | 2011-03-29 | — | — | US | disclosed |
| EP-1280770-B1 | C 2? PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES | BAYER AG (DE) | 2010-06-23 | — | — | EP | disclosed |
| US-20030216260-A1 | C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2003-11-20 | — | — | US | disclosed |
| EP-1280770-A1 | C 2? PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES | Bayer Aktiengesellschaft (DE) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001074770-A1 | C2 PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES | BAYER CROPSCIENCE AG (DE) | 2001-10-11 | — | — | WO | disclosed |