⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5409730 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL18179218 | 0.67 | — | — | |
| SCHEMBL4705130 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL22139475 | 0.60 | — | — | |
| SCHEMBL24590758 | 0.59 | — | — | |
| SCHEMBL15604505 | 0.59 | — | — | |
| SCHEMBL24817747 | 0.59 | — | — | |
| SCHEMBL17621499 | 0.59 | — | — | |
| SCHEMBL3172618 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL15604508 | 0.59 | ALDH1A1 (0.32) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1425096-B1 | METHOD FOR THE PRODUCTION OF ISOPHORONDIAMINE (IPDA, 3-AMINOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYLAMINE) | BASF SE (DE) | 2009-10-14 | — | — | EP | claimed |
| EP-0926130-B1 | Process for the preparation of 3-aminomethyl-3,5,5-trimethyl-cyclohexylamine with cis/trans-Isomer ratio of at least 70/30 | BASF AG (DE) | 2002-06-12 | — | — | EP | claimed |
| US-6022999-A | Preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine having a cis/trans isomer ratio of at least 70:30 | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | claimed |
| JP-11236359-A | — | — | None | — | — | JP | disclosed |
| CN-113493397-A | Preparation method of isophorone imine and preparation method of IPDA (isophorone diisocyanate) containing isophorone imine | 山东新和成维生素有限公司 | 2021-10-12 | — | — | CN | disclosed |
| CN-107857704-B | Method for preparing 3-aminomethyl-3, 5, 5-trimethylcyclohexylamine and catalyst used in method | 万华化学集团股份有限公司 | 2020-04-10 | — | — | CN | disclosed |
| EP-2743251-B1 | 3-AMINOMETHYL-3, 5, 5-TRIMETHYL CYCLOHEXYLAMINE PREPARATION METHOD | WANHUA CHEMICAL GROUP CO LTD (CN) | 2018-06-27 | — | — | EP | disclosed |
| US-6022999-A | Preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine having a cis/trans isomer ratio of at least 70:30 | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | disclosed |
| US-6022999-A | Preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine having a cis/trans isomer ratio of at least 70:30 | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | disclosed |
| JP-H11236359-A | PRODUCTION OF 3-AMINOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYLAMINE WITH CIS/TRANS ISOMER RATIO OF AT LEAST 70/30 | BASF AG | 1999-08-31 | — | — | JP | disclosed |
| US-5756845-A | Preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-26 | — | — | US | disclosed |
| US-5679860-A | Process for the production of 3-aminoethyl-3,5,5-trimethylcyclohexyl amine | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1997-10-21 | — | — | US | disclosed |