⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9242257 | 0.82 | — | — | |
| SCHEMBL9340280 | 0.77 | — | — | |
| SCHEMBL19366310 | 0.75 | — | — | |
| SCHEMBL20189848 | 0.71 | — | — | |
| SCHEMBL6449463 | 0.68 | — | — | |
| SCHEMBL11807271 | 0.68 | — | — | |
| SCHEMBL28290664 | 0.68 | — | — | |
| SCHEMBL2351774 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL30046 | 0.66 | — | — | |
| SCHEMBL22561602 | 0.64 | — | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5406000-A | Reacting 3-cyano-3,5,5-trialkylcyclohexanone with ammonia; then catalytic hydrogenation | ELF/ATOCHEM NORTH AMERICA, INC. (US) | 1995-04-11 | — | — | US | claimed |
| US-5286906-A | HYDROGENATION OF 3-CYANO-3,5,5-TRIALKYLCYCLOHEXANONE USING RUTHENIUM-COBALT CATALYST IN THE PRESENCE OF AMMONIA; BY-PRODUCT INHIBITION | MITSUBISHI KASEI CORPORATION (JP) | 1994-02-15 | — | — | US | claimed |
| EP-0534449-A2 | Process for the preparation of 3-aminomethyl-3,5,5-trialkylcyclohexylamine | Mitsubishi Chemical Corporation (JP) | 1993-03-31 | — | — | EP | claimed |
| JP-6041024-A | — | — | None | — | — | JP | disclosed |
| JP-6041024-A | — | — | None | — | — | JP | disclosed |
| JP-7051571-A | — | — | None | — | — | JP | disclosed |
| JP-7051571-A | — | — | None | — | — | JP | disclosed |
| JP-4300852-A | — | — | None | — | — | JP | disclosed |
| JP-4300852-A | — | — | None | — | — | JP | disclosed |
| JP-6293714-A | — | — | None | — | — | JP | disclosed |
| JP-5085991-A | — | — | None | — | — | JP | disclosed |
| JP-H0625111-A | PRODUCTION OF 3-AMINOMETHYL-3,5,5-TRIALKYLCYCLOHEXYLAMINE | MITSUBISHI KASEI CORP | 1994-02-01 | — | — | JP | disclosed |
| JP-H0625111-A | PRODUCTION OF 3-AMINOMETHYL-3,5,5-TRIALKYLCYCLOHEXYLAMINE | MITSUBISHI KASEI CORP | 1994-02-01 | — | — | JP | disclosed |
| EP-0534449-A3 | PROCESS FOR THE PREPARATION OF 3-AMINOMETHYL-3,5,5-TRIALKYLCYCLOHEXYLAMINE | — | 1993-06-02 | — | — | EP | disclosed |
| JP-H0585991-A | PRODUCTION OF 3-AMIN0METHYL-3,5,5-TRIALKYLCYCLOHEXYLAMINE | MITSUBISHI KASEI CORP | 1993-04-06 | — | — | JP | disclosed |
| EP-0534449-A2 | Process for the preparation of 3-aminomethyl-3,5,5-trialkylcyclohexylamine | Mitsubishi Chemical Corporation (JP) | 1993-03-31 | — | — | EP | disclosed |
| EP-0534449-A2 | Process for the preparation of 3-aminomethyl-3,5,5-trialkylcyclohexylamine | Mitsubishi Chemical Corporation (JP) | 1993-03-31 | — | — | EP | disclosed |
| EP-0534449-A2 | Process for the preparation of 3-aminomethyl-3,5,5-trialkylcyclohexylamine | Mitsubishi Chemical Corporation (JP) | 1993-03-31 | — | — | EP | disclosed |
| JP-H04300852-A | PRODUCTION OF 3-AMINOMETHYL-3,5,5-TRIALKYLCYCLOHEXYLAMINE | MITSUBISHI KASEI CORP | 1992-10-23 | — | — | JP | disclosed |
| JP-H04300852-A | PRODUCTION OF 3-AMINOMETHYL-3,5,5-TRIALKYLCYCLOHEXYLAMINE | MITSUBISHI KASEI CORP | 1992-10-23 | — | — | JP | disclosed |