⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL716960 | 0.70 | — | — | |
| SCHEMBL11510238 | 0.65 | — | — | |
| SCHEMBL22499323 | 0.64 | — | — | |
| SCHEMBL352066 | 0.64 | — | — | |
| SCHEMBL3857557 | 0.64 | — | — | |
| SCHEMBL18533140 | 0.64 | — | — | |
| SCHEMBL9715811 | 0.64 | — | — | |
| SCHEMBL3050040 | 0.64 | — | — | |
| SCHEMBL1421199 | 0.64 | — | — | |
| SCHEMBL6574933 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0427484-A1 | Novel benzoxazolone compounds and the use thereof as microbicides | ROHM AND HAAS COMPANY (US) | 1991-05-15 | — | — | EP | disclosed |
| US-4521412-A | Pesticidal iodopropargylammonium salts | BAYER AKTIENGESELLSCHAFT (DE) | 1985-06-04 | — | — | US | disclosed |