⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2407439 | 0.97 | — | — | |
| Methylene Chloride SCHEMBL28197405 | 0.94 | — | — | |
| SCHEMBL9809649 | 0.77 | — | — | |
| SCHEMBL7160302 | 0.77 | — | — | |
| Methylene Chloride SCHEMBL28027618 | 0.76 | — | — | |
| SCHEMBL1701144 | 0.74 | — | — | |
| SCHEMBL585068 | 0.74 | — | — | |
| SCHEMBL11718848 | 0.74 | KISS1R (0.34) | — | |
| SCHEMBL11058800 | 0.74 | — | — | |
| SCHEMBL9384657 | 0.74 | — | — |
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-7227042-B2 | Method of preparing 1-acetyl-1-chlorocyclopropane | BAYER CROPSCIENCE LP (US) | 2007-06-05 | — | — | US | disclosed |
| US-20050222451-A1 | Method of preparing 1-acetyl-1-chlorocyclopropane | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2005-10-06 | — | — | US | disclosed |