⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2431614 | 1.00 | — | — | |
| SCHEMBL3183590 | 1.00 | — | — | |
| SCHEMBL8648027 | 0.86 | GRIN2D (0.35) | — | |
| SCHEMBL3180158 | 0.83 | — | — | |
| SCHEMBL2428035 | 0.80 | HTR2A (0.35) | — | |
| SCHEMBL1476159 | 0.80 | — | — | |
| SCHEMBL6839193 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL16592261 | 0.78 | — | — | |
| SCHEMBL6309426 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL3176743 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2406216-B1 | HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS | BAYER IP GMBH (DE) | 2017-04-19 | — | — | EP | disclosed |
| EP-3153503-A1 | INTERMEDIATES FOR HALOGENOALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS | Bayer Intellectual Property GmbH (DE) | 2017-04-12 | — | — | EP | disclosed |
| EP-2406216-A2 | HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS | Bayer Cropscience AG (DE) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010102758-A2 | HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS | BAYER CROPSCIENCE AG (DE) | 2010-09-16 | — | — | WO | disclosed |