⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11399638 | 1.00 | — | — | |
| SCHEMBL9642039 | 0.82 | — | — | |
| SCHEMBL9642032 | 0.82 | — | — | |
| SCHEMBL9428045 | 0.76 | — | — | |
| SCHEMBL9932717 | 0.74 | — | — | |
| SCHEMBL727887 | 0.74 | — | — | |
| SCHEMBL243314 | 0.74 | — | — | |
| SCHEMBL1967681 | 0.74 | — | — | |
| Water SCHEMBL27487020 | 0.72 | — | — | |
| SCHEMBL28141916 | 0.72 | — | — |
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-0022608-A1 | Process for the preparation of cyclopropane carboxylic acid esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-01-21 | — | — | EP | disclosed |