⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2942331 | 0.79 | — | — | |
| SCHEMBL609959 | 0.79 | — | — | |
| SCHEMBL5483012 | 0.77 | — | — | |
| SCHEMBL11570155 | 0.74 | CNR1 (0.48) | — | |
| SCHEMBL28413472 | 0.72 | — | — | |
| SCHEMBL5969752 | 0.71 | — | — | |
| SCHEMBL16651576 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL10882587 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL28493896 | 0.70 | CNR1 (0.33) | — | |
| SCHEMBL15547032 | 0.69 | — | — |
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-6004992-A | COMPOUNDS AS PESTICIDES, NEMATOCIDES, MITICIDE FROM ESTER DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |
| US-6004992-A | COMPOUNDS AS PESTICIDES, NEMATOCIDES, MITICIDE FROM ESTER DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |
| US-6004992-A | COMPOUNDS AS PESTICIDES, NEMATOCIDES, MITICIDE FROM ESTER DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |
| EP-0863867-A2 | AMINOCARBOXYLIC ACID FLUOROBUTENYL ESTERS | BAYER AG (DE) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997019599-A1 | AMINOCARBOXYLIC ACID FLUOROBUTENYL ESTERS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-06-05 | — | — | WO | disclosed |