⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34293 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL965724 | 0.80 | — | — | |
| Fluoride Ion SCHEMBL4618004 | 0.80 | — | — | |
| Water SCHEMBL2003588 | 0.80 | — | — | |
| Iodide SCHEMBL394054 | 0.80 | — | — | |
| Bromide SCHEMBL636397 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3388948 | 0.73 | — | — | |
| SCHEMBL385085 | 0.70 | — | — | |
| Hypophosphorous Acid SCHEMBL9464117 | 0.65 | — | — | |
| SCHEMBL9464112 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0558799-A2 | Catalyst and process for the production of 3-cyano-3,5,5-trialkylcyclohexanone | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1993-09-08 | — | — | EP | disclosed |
| US-5183915-A | Reacting with hydrocyanide in presence of quaternary ammonium or phosphonium cyanide in absence of water | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1993-02-02 | — | — | US | disclosed |