⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28776947 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL22139475 | 0.84 | — | — | |
| SCHEMBL647137 | 0.73 | CTSK (0.36) | — | |
| SCHEMBL646534 | 0.73 | MAPT (0.32) | — | |
| SCHEMBL19691078 | 0.68 | — | — | |
| SCHEMBL23809725 | 0.67 | — | — | |
| SCHEMBL6036829 | 0.65 | ALDH1A1 (0.54) | — | |
| SCHEMBL5409730 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL3172618 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL10447532 | 0.60 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0482347-B1 | BIS-(3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIDENE)-AZINE, PROCESS FOR ITS PRODUCTION AND FURTHER PROCESSING TO 3-(AMINOMETHYL)-3,5,5-TRIMETHYL-CYCLOHEXYLAMINE | Degussa Aktiengesellschaft (DE) | 1993-06-09 | — | — | EP | claimed |
| US-5166444-A | Chemical intermediates as hardeners for epoxy resins formed by hydrogenation in the presence of a nickel catalyst | DEGUSSA AG (DE) | 1992-11-24 | — | — | US | claimed |
| US-5166396-A | Chemical intermediates as hardeners for epoxy resins | DEGUSSA AG (DE) | 1992-11-24 | — | — | US | claimed |
| EP-0482347-A2 | Bis-(3-cyano-3,5,5-trimethyl-cyclohexylidene)-azine, process for its production and further processing to 3-(aminomethyl)-3,5,5-trimethyl-cyclohexylamine | Degussa Aktiengesellschaft (DE) | 1992-04-29 | — | — | EP | claimed |
| JP-4264057-A | — | — | None | — | — | JP | disclosed |
| EP-0482347-B1 | BIS-(3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIDENE)-AZINE, PROCESS FOR ITS PRODUCTION AND FURTHER PROCESSING TO 3-(AMINOMETHYL)-3,5,5-TRIMETHYL-CYCLOHEXYLAMINE | Degussa Aktiengesellschaft (DE) | 1993-06-09 | — | — | EP | disclosed |
| EP-0482347-B1 | BIS-(3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIDENE)-AZINE, PROCESS FOR ITS PRODUCTION AND FURTHER PROCESSING TO 3-(AMINOMETHYL)-3,5,5-TRIMETHYL-CYCLOHEXYLAMINE | Degussa Aktiengesellschaft (DE) | 1993-06-09 | — | — | EP | disclosed |
| US-5166444-A | Chemical intermediates as hardeners for epoxy resins formed by hydrogenation in the presence of a nickel catalyst | DEGUSSA AG (DE) | 1992-11-24 | — | — | US | disclosed |
| US-5166444-A | Chemical intermediates as hardeners for epoxy resins formed by hydrogenation in the presence of a nickel catalyst | DEGUSSA AG (DE) | 1992-11-24 | — | — | US | disclosed |
| US-5166444-A | Chemical intermediates as hardeners for epoxy resins formed by hydrogenation in the presence of a nickel catalyst | DEGUSSA AG (DE) | 1992-11-24 | — | — | US | disclosed |
| US-5166396-A | Chemical intermediates as hardeners for epoxy resins | DEGUSSA AG (DE) | 1992-11-24 | — | — | US | disclosed |
| US-5166396-A | Chemical intermediates as hardeners for epoxy resins | DEGUSSA AG (DE) | 1992-11-24 | — | — | US | disclosed |
| JP-H04264057-A | BIS(3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIDENE)-AZINE, ITS PRODUCTION AND PRODUCTION OF 3-(AMINOMETHYL)-3,5,5-TRIMETHYLCYCLOHEXYLAMINE | DEGUSSA AG | 1992-09-18 | — | — | JP | disclosed |
| EP-0482347-A3 | BIS-(3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIDENE)-AZINE, PROCESS FOR ITS PRODUCTION AND FURTHER PROCESSING TO 3-(AMINOMETHYL)-3,5,5-TRIMETHYL-CYCLOHEXYLAMINE | — | 1992-08-19 | — | — | EP | disclosed |
| EP-0482347-A2 | Bis-(3-cyano-3,5,5-trimethyl-cyclohexylidene)-azine, process for its production and further processing to 3-(aminomethyl)-3,5,5-trimethyl-cyclohexylamine | Degussa Aktiengesellschaft (DE) | 1992-04-29 | — | — | EP | disclosed |
| EP-0482347-A2 | Bis-(3-cyano-3,5,5-trimethyl-cyclohexylidene)-azine, process for its production and further processing to 3-(aminomethyl)-3,5,5-trimethyl-cyclohexylamine | Degussa Aktiengesellschaft (DE) | 1992-04-29 | — | — | EP | disclosed |
| EP-0482347-A2 | Bis-(3-cyano-3,5,5-trimethyl-cyclohexylidene)-azine, process for its production and further processing to 3-(aminomethyl)-3,5,5-trimethyl-cyclohexylamine | Degussa Aktiengesellschaft (DE) | 1992-04-29 | — | — | EP | disclosed |