⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18853753 | 1.00 | — | — | |
| SCHEMBL11122442 | 0.73 | — | — | |
| SCHEMBL11093793 | 0.69 | TDP1 (0.37) | — | |
| SCHEMBL2769057 | 0.69 | — | — | |
| SCHEMBL6671883 | 0.69 | — | — | |
| SCHEMBL1161115 | 0.69 | — | — | |
| SCHEMBL2498080 | 0.69 | — | — | |
| SCHEMBL2498084 | 0.69 | — | — | |
| SCHEMBL6671881 | 0.69 | — | — | |
| SCHEMBL6671879 | 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 |
|---|---|---|---|---|---|---|---|
| US-4767757-A | Acyloxythiophene-carboxamide fungicides, compositions and use | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-30 | — | — | US | disclosed |