⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18936011 | 1.00 | — | — | |
| SCHEMBL16502338 | 0.73 | — | — | |
| SCHEMBL10368998 | 0.69 | — | — | |
| SCHEMBL204465 | 0.69 | — | — | |
| Oxirane SCHEMBL8643415 | 0.50 | — | — | |
| Fluoride SCHEMBL31441110 | 0.50 | — | — | |
| Oxirane SCHEMBL8094696 | 0.47 | TTR (0.83) | — | |
| SCHEMBL8853909 | 0.47 | — | — | |
| Oxirane SCHEMBL654963 | 0.47 | — | — | |
| SCHEMBL27530 | 0.47 | — | — |
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-2013047904-A1 | AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING HARMFUL ARTHROPODS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-04-04 | — | — | WO | disclosed |