⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9751749 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL9273653 | 0.65 | FFAR3 (0.40) | — | |
| SCHEMBL11219960 | 0.57 | — | — | |
| SCHEMBL24780856 | 0.57 | HTT (0.34) | — | |
| SCHEMBL4624687 | 0.57 | — | — | |
| SCHEMBL44046 | 0.57 | — | — | |
| SCHEMBL1408674 | 0.57 | — | — | |
| SCHEMBL608123 | 0.56 | SLC13A3 (0.38) | — | |
| SCHEMBL124874 | 0.56 | SLC13A3 (0.35) | — | |
| SCHEMBL27853746 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0048186-B1 | CYCLOPROPANE-CARBOXYLIC-ACID DERIVATIVES, THEIR PREPARATION, THEIR USE IN COMBATING VEGETAL PARASITES, ANIMALS AND LOCATIONS, THEIR COMPOSITIONS, AND INTERMEDIATES | ROUSSEL-UCLAF (FR) | 1985-05-02 | — | — | EP | disclosed |