⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11173081 | 0.93 | — | — | |
| SCHEMBL138530 | 0.72 | — | — | |
| SCHEMBL31178563 | 0.72 | — | — | |
| SCHEMBL1131303 | 0.67 | — | — | |
| SCHEMBL20054198 | 0.65 | — | — | |
| SCHEMBL17428577 | 0.65 | — | — | |
| SCHEMBL2154851 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL18025381 | 0.60 | — | — | |
| SCHEMBL18430746 | 0.57 | — | — | |
| SCHEMBL135065 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0901456-B1 | PROCESS FOR PRODUCING 2-FLUORINE-1-CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES BY REDUCTIVE DEHALOGENATION | BAYER AG (DE) | 2000-12-27 | — | — | EP | disclosed |
| US-6130350-A | Process for producing 2-fluorine-1-cyclopropane carboxylic acid derivatives by reductive dehalogenation | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-10 | — | — | US | disclosed |
| US-3972901-A | Diels-Alder type process involving a geminal-dihalocyclopropane and a dienophile | ETHYL CORPORATION (US) | 1976-08-03 | — | — | US | disclosed |