⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8759313 | 0.83 | HMGCR (0.39) | — | |
| SCHEMBL10976432 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL11208572 | 0.82 | — | — | |
| SCHEMBL11488653 | 0.82 | — | — | |
| SCHEMBL8759203 | 0.80 | — | — | |
| SCHEMBL8759826 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL11484785 | 0.78 | — | — | |
| SCHEMBL10684294 | 0.78 | — | — | |
| SCHEMBL11485787 | 0.77 | CTSD (0.32) | — | |
| SCHEMBL11495682 | 0.77 | PIK3CD (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4740612-A | Process for production of β-dihalogenoethenylcyclopropane derivatives | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-04-26 | — | — | US | claimed |
| US-4740612-A | Process for production of β-dihalogenoethenylcyclopropane derivatives | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-04-26 | — | — | US | disclosed |
| US-4195033-A | 1-Acetyl or 1-cyano-2(2,2-dichlorovinyl)-3,3-dimethyl cyclopropane | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-03-25 | — | — | US | disclosed |