⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL242100 | 0.85 | — | — | |
| SCHEMBL242351 | 0.67 | — | — | |
| SCHEMBL9716533 | 0.64 | — | — | |
| SCHEMBL23451839 | 0.60 | — | — | |
| SCHEMBL4658785 | 0.60 | — | — | |
| SCHEMBL10935497 | 0.58 | — | — | |
| SCHEMBL15328906 | 0.57 | — | — | |
| SCHEMBL27747773 | 0.57 | — | — | |
| SCHEMBL15328586 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL28327094 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2346815-A1 | METHOD FOR PRODUCING COMPOUNDS INCLUDING NITRILE FUNCTIONS | Rhodia Opérations (FR) | 2011-07-27 | — | — | EP | claimed |