⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10452469 | 0.97 | LMNA (0.35) | — | |
| SCHEMBL9712606 | 0.97 | LMNA (0.35) | — | |
| SCHEMBL10481866 | 0.91 | — | — | |
| SCHEMBL17830489 | 0.81 | — | — | |
| SCHEMBL17830561 | 0.79 | — | — | |
| SCHEMBL7026564 | 0.78 | — | — | |
| SCHEMBL18935760 | 0.74 | — | — | |
| SCHEMBL5823770 | 0.74 | — | — | |
| SCHEMBL9712805 | 0.74 | — | — | |
| SCHEMBL10451626 | 0.74 | HIF1A (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005026139-A1 | NEMATICIDAL DIFLUOROALKENES | BAYER CROPSCIENCE AG (DE) | 2005-03-24 | — | — | WO | disclosed |
| US-5248810-A | Insecticides, acaricides | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-09-28 | — | — | US | disclosed |
| US-5081287-A | Pesticidal polyhalo alkenoic acid esters | FMC CORPORATION (US) | 1992-01-14 | — | — | US | disclosed |
| EP-0432861-A1 | Halogenated olefines, process for the preparation thereof and their use as pesticides | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-06-19 | — | — | EP | disclosed |