⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3119545 | 1.00 | ALDH1A1 (0.43) | — | |
| SCHEMBL3078547 | 1.00 | ALDH1A1 (0.43) | — | |
| SCHEMBL1260755 | 1.00 | ALDH1A1 (0.43) | — | |
| SCHEMBL1423818 | 1.00 | ALDH1A1 (0.43) | — | |
| SCHEMBL3081087 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1023153 | 0.96 | ALDH1A1 (0.40) | — | |
| SCHEMBL14783226 | 0.96 | ALDH1A1 (0.40) | — | |
| SCHEMBL221268 | 0.96 | ALDH1A1 (0.40) | — | |
| SCHEMBL32679298 | 0.96 | ALDH1A1 (0.40) | — | |
| SCHEMBL15174210 | 0.96 | ALDH1A1 (0.40) | — |
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 1835 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4561995-B1 | 1,4-BIS-(2-HYDROXY-BENZYL)-1,4,7-TRIAZACYCLONONANE DERIVATIVES AND SIMILAR COMPOUNDS AS LIGANDS IN IRON(III) COMPLEXES FOR USE AS MRI CONTRAST AGENTS | BRACCO IMAGING SPA (IT) | 2026-05-27 | — | — | EP | claimed |
| CN-121698848-B | Iron complex with triazacyclononane macrocyclic skeleton, and preparation method and application thereof | Quzhou Research Institute of Zhejiang University (CN) | 2026-05-26 | — | — | CN | claimed |
| EP-3986465-B1 | SITE-SPECIFIC, KINETICALLY INERT CONJUGATION OF LABELS AND/OR CARRIERS TO TARGET MOLECULES SUCH AS HIS-TAGGED PROTEINS VIA METAL COMPLEX REAGENTS | MAX PLANCK GESELLSCHAFT (DE) | 2026-05-13 | — | — | EP | claimed |
| EP-4713029-A1 | MODIFIED CELL, PHARMACEUTICAL COMPOSITION AND METHOD OF PREPARING A MODIFIED CELL | Max-Planck-Gesellschaft zur Förderung der Wissenschaften E.V. (DE) | 2026-03-25 | — | — | EP | claimed |
| US-12441966-B2 | Package comprising detergent compositions | RECKITT BENCKISER FINISH B.V. (NL) | 2025-10-14 | — | — | US | claimed |
| US-12358880-B2 | 1,4-bis-(2-hydroxy-benzyl)-1,4,7-triazacyclononane derivatives and similar compounds as ligands in iron(III) complexes for use as MRI contrast agents | BRACCO IMAGING S.P.A. (IT) | 2025-07-15 | — | — | US | claimed |
| EP-4561995-A1 | 1,4-BIS-(2-HYDROXY-BENZYL)-1,4,7-TRIAZACYCLONONANE DERIVATIVES AND SIMILAR COMPOUNDS AS LIGANDS IN IRON(III) COMPLEXES FOR USE AS MRI CONTRAST AGENTS | Bracco Imaging SPA (IT) | 2025-06-04 | — | — | EP | claimed |
| US-20250163007-A1 | 1,4-BIS-(2-HYDROXY-BENZYL)-1,4,7-TRIAZACYCLONONANE DERIVATIVES AND SIMILAR COMPOUNDS AS LIGANDS IN IRON(III) COMPLEXES FOR USE AS MRI CONTRAST AGENTS | BRACCO IMAGING S.P.A. (IT) | 2025-05-22 | — | — | US | claimed |
| EP-4547258-A1 | NANOPARTICLES AND TEMPLATE DIRECTED RIG-I AGONIST PRECURSOR COMPOSITIONS AND USES THEREOF FOR CANCER THERAPY | Transcode Therapeutics, Inc. (US) | 2025-05-07 | — | — | EP | claimed |
| CN-119735561-A | Preparation method, purification method and derivative of mono-benzyl substituted triazacyclononane | 上海凌凯科技股份有限公司 | 2025-04-01 | — | — | CN | claimed |
| WO-1997033177-A1 | SENSORS FOR SUGARS AND OTHER METAL BINDING ANALYTES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1997-09-12 | — | — | WO | claimed |
| EP-0763096-A1 | BLEACH COMPOSITIONS COMPRISING OLEOYL SARCOSINATE SURFACTANTS | THE PROCTER & GAMBLE COMPANY (US) | 1997-03-19 | — | — | EP | claimed |
| EP-0759056-A1 | DETERGENT COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1997-02-26 | — | — | EP | claimed |
| WO-1997005489-A1 | SOLUBLE AND POLYMERIC METAL COMPLEXING MATERIALS FOR MEASUREMENT OF SUGARS AND RELATED MOLECULES IN SOLUTION | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1997-02-13 | — | — | WO | claimed |
| WO-1995033043-A1 | BLEACH COMPOSITIONS COMPRISING OLEOYL SARCOSINATE SURFACTANTS | THE PROCTER & GAMBLE COMPANY (US) | 1995-12-07 | — | — | WO | claimed |
| WO-1995028454-A1 | DETERGENT COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1995-10-26 | — | — | WO | claimed |
| EP-0648211-A1 | SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE DERIVATIVES | UNILEVER PLC (GB) | 1995-04-19 | — | — | EP | claimed |
| US-5284944-A | Improved synthesis of 1,4,7-triazacyclononane | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1994-02-08 | — | — | US | claimed |
| WO-1994000439-A1 | SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE DERIVATIVES | UNILEVER PLC (GB) | 1994-01-06 | — | — | WO | claimed |
| EP-0374929-A1 | Process for preparing mono-n-alkylated polyazamacrocycles | THE DOW CHEMICAL COMPANY (US) | 1990-06-27 | — | — | EP | claimed |