⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL731440 | 0.83 | HSD17B10 (0.35) | — | |
| SCHEMBL5824452 | 0.80 | — | — | |
| SCHEMBL733526 | 0.77 | — | — | |
| SCHEMBL733391 | 0.76 | — | — | |
| SCHEMBL732540 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL21163453 | 0.73 | — | — | |
| SCHEMBL8614697 | 0.73 | — | — | |
| SCHEMBL733399 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL4360725 | 0.72 | — | — | |
| SCHEMBL8814059 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138118-B2 | Plant safening agents ; side effect reduction of pesticides, herbicides, insecticides, fungicides | BAYER CROPSCIENCE AG (DE) | 2012-03-20 | — | — | US | disclosed |
| US-7838463-B2 | Safeners based on acrylic-aliphatic carboxylic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2010-11-23 | — | — | US | disclosed |
| US-20050049145-A1 | Safeners based on acrylic-aliphatic carboxylic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2005-03-03 | — | — | US | disclosed |
| US-20050037922-A1 | Use of hydroxyaromatics as safeners | BAYER CROPSCIENCE GMBH (DE) | 2005-02-17 | — | — | US | disclosed |
| US-20040224844-A1 | Use of hydroxyaromatic compounds as safeners | BAYER CROPSCIENCE GMBH (DE) | 2004-11-11 | — | — | US | disclosed |