⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8522971 | 0.69 | HSD17B10 (0.37) | — | |
| SCHEMBL31053712 | 0.66 | — | — | |
| SCHEMBL9448225 | 0.58 | — | — | |
| SCHEMBL8190601 | 0.58 | — | — | |
| SCHEMBL3668737 | 0.58 | — | — | |
| SCHEMBL3672245 | 0.55 | — | — | |
| SCHEMBL6715275 | 0.55 | — | — | |
| SCHEMBL4372641 | 0.54 | — | — | |
| SCHEMBL7167314 | 0.54 | MAPK1 (0.37) | — | |
| SCHEMBL7044934 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0932339-A1 | SOLID PHYTOSANITARY AGENT | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-04 | — | — | EP | disclosed |
| WO-1998016105-A1 | SOLID PHYTOSANITARY AGENT | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-23 | — | — | WO | disclosed |
| EP-0257294-B1 | E/Z-ISOMERIC MIXTURES AND PURE Z-ISOMERS OF N-ALPHA-(2-CYANO-2-ALKOXYIMINOACETYL) AMINO-ACID DERIVATIVES AND LIKE PEPTIDES | BAYER AG (DE) | 1990-09-12 | — | — | EP | disclosed |
| EP-0206004-A1 | E-isomers of N-alpha-(2-cyano-2-alkoxyiminoacetyl)-amino-acid derivatives and peptides | BAYER AG (DE) | 1986-12-30 | — | — | EP | disclosed |