⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7521556 | 0.69 | — | — | |
| SCHEMBL7518223 | 0.69 | — | — | |
| SCHEMBL2160760 | 0.69 | — | — | |
| SCHEMBL27994865 | 0.69 | — | — | |
| SCHEMBL10914722 | 0.67 | — | — | |
| SCHEMBL948116 | 0.67 | — | — | |
| SCHEMBL7524419 | 0.67 | — | — | |
| SCHEMBL9397880 | 0.67 | — | — | |
| SCHEMBL3380007 | 0.67 | — | — | |
| SCHEMBL11073973 | 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 |
|---|---|---|---|---|---|---|---|
| US-4079148-A | Antimicrobial sulfonyl-acrylonitriles and amides thereof | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-14 | — | — | US | disclosed |