⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24030720 | 0.76 | — | — | |
| SCHEMBL3200353 | 0.76 | — | — | |
| SCHEMBL3200709 | 0.76 | — | — | |
| SCHEMBL9340376 | 0.76 | — | — | |
| SCHEMBL9341283 | 0.76 | — | — | |
| SCHEMBL14444153 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL5409730 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL8745864 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL15199096 | 0.62 | — | — | |
| SCHEMBL15199098 | 0.62 | — | — |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2743251-B1 | 3-AMINOMETHYL-3, 5, 5-TRIMETHYL CYCLOHEXYLAMINE PREPARATION METHOD | WANHUA CHEMICAL GROUP CO LTD (CN) | 2018-06-27 | — | — | EP | claimed |
| EP-2930166-B1 | METHOD FOR PREPARING 3-AMINOMETHYL-3,5,5-TRIMETHYL CYCLOHEXYLAMINE | WANHUA CHEMICAL GROUP CO LTD (CN) | 2018-06-20 | — | — | EP | claimed |
| EP-2125696-B1 | CONTINUOUS PROCESS FOR THE HYDROGENATION OF 3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIMINE | BASF SE (DE) | 2012-10-31 | — | — | EP | claimed |
| EP-2125696-A1 | CONTINUOUS PROCESS FOR THE HYDROGENATION OF 3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIMINE | BASF SE (DE) | 2009-12-02 | — | — | EP | claimed |
| WO-2008077852-A1 | CONTINUOUS PROCESS FOR THE HYDROGENATION OF 3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIMINE | BASF SE (DE) | 2008-07-03 | — | — | WO | claimed |
| EP-0913387-B1 | Process for the preparation of isophoronediamine | DEGUSSA (DE) | 2003-01-15 | — | — | EP | claimed |
| EP-0913387-A2 | Process for the preparation of amines from imines or nitriles | Degussa Aktiengesellschaft (DE) | 1999-05-06 | — | — | EP | claimed |
| EP-0771784-A1 | Process for the preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine | Degussa Aktiengesellschaft (DE) | 1997-05-07 | — | — | EP | claimed |
| EP-3406589-B1 | METHOD FOR THE PRODUCTION OF AMINO COMPOUNDS FROM NITRILE COMPOUNDS | EVONIK OPERATIONS GMBH (DE) | 2020-04-08 | — | — | EP | disclosed |
| EP-3406589-A1 | METHOD FOR THE PRODUCTION OF AMINO COMPOUNDS FROM NITRILE COMPOUNDS | Evonik Degussa GmbH (DE) | 2018-11-28 | — | — | EP | disclosed |
| EP-3075721-A1 | METHOD FOR THE PREPARATION OF 3-AMINOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYLAMINE | Evonik Degussa GmbH (DE) | 2016-10-05 | — | — | EP | disclosed |
| WO-2016120235-A1 | METHOD FOR PRODUCING 3-AMINOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYLAMINE | EVONIK DEGUSSA GMBH (DE) | 2016-08-04 | — | — | WO | disclosed |
| EP-3050870-A1 | Method for the preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine | Evonik Degussa GmbH (DE) | 2016-08-03 | — | — | EP | disclosed |
| EP-2125696-B1 | CONTINUOUS PROCESS FOR THE HYDROGENATION OF 3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIMINE | BASF SE (DE) | 2012-10-31 | — | — | EP | disclosed |
| EP-0880996-A1 | Shaped fixed bed Raney-type metal catalyst,preparation process and use | Degussa Aktiengesellschaft (DE) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998004515-A1 | PROCESS FOR PRODUCING AMINES AND AMINO NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-05 | — | — | WO | disclosed |
| WO-1997037963-A1 | METHOD OF PRODUCING AMINES AND AMINONITRILES | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-16 | — | — | WO | disclosed |
| EP-0771784-A1 | Process for the preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine | Degussa Aktiengesellschaft (DE) | 1997-05-07 | — | — | EP | disclosed |
| EP-0449089-B1 | Process for preparing 3-aminomethyl-3,5,5-trimethyl-cyclohexylamine | BASF AG (DE) | 1994-01-12 | — | — | EP | disclosed |
| EP-0449089-A1 | Process for preparing 3-aminomethyl-3,5,5-trimethyl-cyclohexylamine | BASF Aktiengesellschaft (DE) | 1991-10-02 | — | — | EP | disclosed |