⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2449018 | 0.87 | CHRM2 (0.37) | — | |
| SCHEMBL9343558 | 0.87 | CHRM2 (0.37) | — | |
| SCHEMBL9340709 | 0.87 | CHRM2 (0.37) | — | |
| SCHEMBL70413 | 0.78 | — | — | |
| SCHEMBL2488591 | 0.78 | — | — | |
| SCHEMBL972246 | 0.78 | — | — | |
| SCHEMBL2439739 | 0.78 | — | — | |
| SCHEMBL5432231 | 0.78 | — | — | |
| SCHEMBL18231297 | 0.69 | — | — | |
| SCHEMBL16271945 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992016518-A1 | AMINOETHYL KETALS, THEIR PREPARATION AND INTERMEDIATE PRODUCTS THEREFOR, AND THEIR USE AS FUNGICIDES | CHEMINOVA AGRO A/S (DK) | 1992-10-01 | — | — | WO | disclosed |