⚠ 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 | |
|---|---|---|---|---|
| Ethyl Chloride SCHEMBL11811185 | 0.73 | — | — | |
| Ethyl Chloride SCHEMBL28108436 | 0.70 | ALDH1A1 (0.55) | — | |
| Chloroform SCHEMBL9396102 | 0.69 | — | — | |
| Ethyl Chloride SCHEMBL1248822 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL29065332 | 0.65 | — | — | |
| SCHEMBL7760520 | 0.65 | — | — | |
| SCHEMBL7872210 | 0.65 | — | — | |
| Ethyl Chloride SCHEMBL1331994 | 0.63 | — | — | |
| Ethyl Chloride SCHEMBL1331389 | 0.63 | — | — | |
| Ethyl Chloride SCHEMBL1331853 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6838462-B2 | Insecticidal azoles | BAYER CROPSCIENCE LP (DE) | 2005-01-04 | — | — | US | disclosed |
| US-20040209896-A1 | Novel insecticidal azoles | BAYER CROPSCIENCE AG (DE) | 2004-10-21 | — | — | US | disclosed |