⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8447659 | 0.73 | HCAR2 (0.46) | — | |
| SCHEMBL197638 | 0.73 | — | — | |
| SCHEMBL19666544 | 0.71 | MIF (0.37) | — | |
| SCHEMBL16827806 | 0.71 | CHRNB2 (0.40) | — | |
| SCHEMBL1547244 | 0.71 | TSHR (0.50) | — | |
| Water SCHEMBL28044737 | 0.70 | — | — | |
| SCHEMBL30129770 | 0.70 | — | — | |
| SCHEMBL28044800 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6069542 | 0.70 | — | — | |
| SCHEMBL8444206 | 0.70 | TRPA1 (0.39) | — |
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-2001017965-A2 | CYANOPIPERIDINES AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-03-15 | — | — | WO | disclosed |