⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL363537 | 0.67 | — | — | |
| Ethylene SCHEMBL9807200 | 0.64 | — | — | |
| Ethylene SCHEMBL11166078 | 0.61 | — | — | |
| SCHEMBL5964404 | 0.61 | — | — | |
| SCHEMBL7050189 | 0.61 | — | — | |
| Water SCHEMBL11023245 | 0.58 | — | — | |
| SCHEMBL4575231 | 0.58 | — | — | |
| SCHEMBL5586217 | 0.55 | — | — | |
| Acetaldehyde SCHEMBL1506844 | 0.55 | — | — | |
| Ethane SCHEMBL10812080 | 0.52 | — | — |
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-1858899-A1 | HETEROBICYCLIC ACRYLAMIDES | Bayer CropScience AG (DE) | 2007-11-28 | — | — | EP | claimed |
| WO-2006094666-A1 | HETEROBICYCLIC ACRYLAMIDES | BAYER CROPSCIENCE AG (DE) | 2006-09-14 | — | — | WO | claimed |
| EP-0698641-A1 | Cationic 1,3,4-thiadiazole dyes | BAYER AG (DE) | 1996-02-28 | — | — | EP | disclosed |
| EP-0392317-A2 | Benzimidazoles, drugs containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1990-10-17 | — | — | EP | disclosed |