⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11123167 | 0.69 | POLB (0.31) | — | |
| SCHEMBL6529693 | 0.67 | — | — | |
| SCHEMBL8927443 | 0.63 | — | — | |
| SCHEMBL11311959 | 0.63 | — | — | |
| SCHEMBL9497640 | 0.62 | — | — | |
| SCHEMBL9495595 | 0.58 | — | — | |
| SCHEMBL468475 | 0.57 | — | — | |
| SCHEMBL889475 | 0.56 | — | — | |
| SCHEMBL2047432 | 0.56 | CPT1A (0.33) | — | |
| SCHEMBL9321998 | 0.56 | — | — |
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 8 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 | claimed |
| 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 | claimed |
| JP-5294918-A | — | — | None | — | — | JP | disclosed |
| JP-H05294918-A | CATALYST FOR PRODUCING 3-CYANO-3,5,5-TRIALKYLCYCLOHEXANONE AND PRODUCTION OF THE SAME COMPOUND | ELF ATOCHEM NORTH AMERICA INC | 1993-11-09 | — | — | JP | disclosed |
| 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 |
| 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 |
| 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 |