⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3358594 | 1.00 | — | — | |
| SCHEMBL25095334 | 0.81 | — | — | |
| SCHEMBL5706664 | 0.81 | — | — | |
| SCHEMBL26751104 | 0.81 | — | — | |
| SCHEMBL7189787 | 0.78 | MAPT (0.39) | — | |
| SCHEMBL1578042 | 0.78 | MAPT (0.39) | — | |
| SCHEMBL1578216 | 0.78 | MAPT (0.39) | — | |
| SCHEMBL1577514 | 0.78 | MAPT (0.39) | — | |
| SCHEMBL26751133 | 0.77 | — | — | |
| SCHEMBL5078529 | 0.77 | MAPK1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8409831-B2 | Method for producing (1S,2R)-2-chloro-2-fluorocyclopropanecarboxylic acid | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-04-02 | — | — | US | disclosed |
| EP-2311974-B1 | PROCESS FOR PRODUCING (1S,2R)-2-CHLORO-2-FLUOROCYCLOPROPANECARBOXYLIC ACID | SUMITOMO CHEMICAL CO (JP) | 2012-12-19 | — | — | EP | disclosed |
| US-20110117616-A1 | METHOD FOR PRODUCING (1S,2R)-2-CHLORO-2-FLUOROCYCLOPROPANECARBOXYLIC ACID | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2311974-A1 | METHOD FOR PRODUCING (1S,2R)-2-CHLORO-2-FLUOROCYCLOPROPANECARBOXYLIC ACID | Sumitomo Chemical Company, Limited (JP) | 2011-04-20 | — | — | EP | disclosed |