⚠ 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 | — | — | |
| SCHEMBL11113584 | 0.81 | — | — | |
| SCHEMBL11112428 | 0.81 | — | — | |
| SCHEMBL11106654 | 0.77 | — | — | |
| SCHEMBL11117405 | 0.77 | — | — | |
| SCHEMBL11112409 | 0.77 | OPRK1 (0.31) | — | |
| SCHEMBL11118496 | 0.73 | GABRR1 (0.31) | — | |
| SCHEMBL11107151 | 0.73 | TP53 (0.33) | — | |
| SCHEMBL11115869 | 0.71 | KMT2A (0.32) | — | |
| SCHEMBL11110910 | 0.70 | — | — |
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-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 | claimed |
| 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 |