⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL141617 | 0.70 | — | — | |
| Acetonitrile SCHEMBL2268920 | 0.70 | — | — | |
| SCHEMBL836781 | 0.70 | — | — | |
| SCHEMBL6259572 | 0.70 | — | — | |
| SCHEMBL191006 | 0.67 | — | — | |
| Hydroxyamine SCHEMBL6392975 | 0.67 | — | — | |
| SCHEMBL10416545 | 0.67 | — | — | |
| SCHEMBL17581712 | 0.67 | — | — | |
| SCHEMBL9859678 | 0.67 | TDP1 (1.00) | — | |
| SCHEMBL26417 | 0.67 | — | — |
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-0313091-B1 | AMIDE DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF, AND AGRICULTURAL-HORTICULTURAL FUNGICIDE CONTAINING THEM | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-09-01 | — | — | EP | disclosed |