⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11038560 | 0.76 | EPHX1 (0.35) | — | |
| SCHEMBL11037512 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL10967025 | 0.73 | CHRM2 (0.30) | — | |
| SCHEMBL125487 | 0.71 | — | — | |
| SCHEMBL3001721 | 0.68 | NPSR1 (0.33) | — | |
| SCHEMBL10546278 | 0.68 | — | — | |
| SCHEMBL25706 | 0.68 | ALDH1A1 (0.44) | — | |
| SCHEMBL14336987 | 0.67 | NPSR1 (0.36) | — | |
| SCHEMBL31554018 | 0.67 | — | — | |
| SCHEMBL294509 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0041021-B1 | CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, THEIR USE AGAINST PARASITES IN PLANTS AND ANIMALS, THEIR COMPOSITIONS AND THEIR INTERMEDIATES | ROUSSEL-UCLAF (FR) | 1984-07-25 | — | — | EP | disclosed |
| EP-0041021-A2 | Cyclopropane carboxylic acid derivatives, their preparation, their use against parasites in plants and animals, their compositions and their intermediates | ROUSSEL-UCLAF (FR) | 1981-12-02 | — | — | EP | disclosed |