⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11109925 | 0.82 | — | — | |
| SCHEMBL11115401 | 0.81 | — | — | |
| SCHEMBL11116983 | 0.73 | — | — | |
| SCHEMBL11106520 | 0.73 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL11642455 | 0.70 | KMT2A (0.30) | — | |
| SCHEMBL10969908 | 0.70 | — | — | |
| SCHEMBL11108154 | 0.69 | MAPT (0.44) | — | |
| SCHEMBL11111493 | 0.69 | HRH3 (0.33) | — | |
| SCHEMBL10932451 | 0.67 | PPM1B (0.38) | — | |
| SCHEMBL3988299 | 0.67 | TRPA1 (0.33) | — |
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-0108679-A1 | Derivatives of cyclopropane-carboxylic acid containing an alkylthiocarbonyl group and a halogen atom, their preparation, their use as parasiticides for plants, animals and premises, and compositions containing them | ROUSSEL-UCLAF (FR) | 1984-05-16 | — | — | EP | disclosed |