⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6530659 | 0.73 | — | — | |
| SCHEMBL8132463 | 0.70 | — | — | |
| SCHEMBL1023491 | 0.64 | — | — | |
| Bromoform SCHEMBL3129174 | 0.58 | — | — | |
| SCHEMBL5476601 | 0.51 | — | — | |
| SCHEMBL7282901 | 0.51 | — | — | |
| SCHEMBL918149 | 0.44 | — | — | |
| SCHEMBL7913561 | 0.39 | — | — | |
| SCHEMBL15484301 | 0.38 | — | — | |
| Sulfurous Acid SCHEMBL21951438 | 0.32 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7049271-B2 | Phenyl-substituted 2-enamino-ketonitriles | BAYER AKTIENGESELLSCHAFT (DE) | 2006-05-23 | — | — | US | disclosed |
| US-20060100106-A1 | Phenyl-substituted 2-enamino-ketonitriles | FISCHER REINER | 2006-05-11 | — | — | US | disclosed |
| US-20030220196-A1 | Phenyl-substituted-2enamino-keto nitriles | BAYER AKTIENGESELLSCHAFT (DE) | 2003-11-27 | — | — | US | disclosed |