⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1003923 | 1.00 | CXCR4 (0.75) | — | |
| SCHEMBL8198989 | 1.00 | CXCR4 (0.75) | — | |
| SCHEMBL6883302 | 1.00 | CXCR4 (0.75) | — | |
| SCHEMBL8191860 | 1.00 | CXCR4 (0.75) | — | |
| SCHEMBL28179256 | 0.96 | CXCR4 (0.69) | — | |
| SCHEMBL27953016 | 0.96 | CXCR4 (0.69) | — | |
| SCHEMBL10540249 | 0.96 | CXCR4 (0.69) | — | |
| Ammonia Solution, Strong SCHEMBL28222091 | 0.96 | CXCR4 (0.69) | — | |
| SCHEMBL6272412 | 0.96 | CXCR4 (0.67) | — | |
| SCHEMBL3993518 | 0.96 | CXCR4 (0.67) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119343336-A | 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 | 伯拉考成像股份公司 | 2025-01-21 | — | — | CN | claimed |
| WO-1990007261-A2 | PROCESS FOR PREPARING MONO-N-ALKYLATED POLYAZAMACROCYCLES | THE DOW CHEMICAL COMPANY (US) | 1990-07-12 | — | — | WO | claimed |
| CN-119343336-A | 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 | 伯拉考成像股份公司 | 2025-01-21 | — | — | CN | disclosed |
| CN-116617421-A | Pharmaceutical composition for diagnosis and/or therapy | 慕尼黑工业大学 | 2023-08-22 | — | — | CN | disclosed |
| EP-3318555-B1 | BIFUNCTIONAL CHELATING AGENTS | BWXT MEDICAL LTD (CA) | 2023-08-16 | — | — | EP | disclosed |
| CN-111182927-B | PSMA ligands for imaging and intracavity radiation therapy | 慕尼黑工业大学 | 2023-07-21 | — | — | CN | disclosed |
| EP-3318555-A1 | BIFUNCTIONAL CHELATING AGENTS | Nordion (Canada) Inc. (CA) | 2018-05-09 | — | — | EP | disclosed |
| EP-2536691-B1 | BIFUNCTIONAL CHELATING AGENTS | Nordion (Canada) Inc (CA) | 2017-11-22 | — | — | EP | disclosed |
| US-8772446-B2 | Bifunctional chelating agents | NORDION (CANADA) INC. (CA) | 2014-07-08 | — | — | US | disclosed |
| EP-2536691-A1 | BIFUNCTIONAL CHELATING AGENTS | Nordion (Canada) Inc. (CA) | 2012-12-26 | — | — | EP | disclosed |
| US-20110313130-A1 | BIFUNCTIONAL CHELATING AGENTS | NORDION (CANADA) INC. | 2011-12-22 | — | — | US | disclosed |
| WO-2011100829-A1 | BIFUNCTIONAL CHELATING AGENTS | NORDION (CANADA) INC. (CA) | 2011-08-25 | — | — | WO | disclosed |
| CN-1250534-C | Process for the manufacture of hydroxy ester derivative intermediates and epoxy resins prepared therefrom | DOW GLOBAL TECHNOLOGIES COMPAN (US) | 2006-04-12 | — | — | CN | disclosed |
| CN-1667014-A | Process for manufacturing a hydroxyester derivative intermediate | DOW CHEMICAL CO (US) | 2005-09-14 | — | — | CN | disclosed |
| CN-1439027-A | Process for the manufacture of hydroxy ester derivative intermediates and epoxy resins prepared therefrom | DOW GLOBAL TECHNOLOGIES COMPAN (US) | 2003-08-27 | — | — | CN | disclosed |
| EP-0374929-B1 | Process for preparing mono-N-alkylated polyazamacrocycles | DOW CHEMICAL CO (US) | 1998-03-25 | — | — | EP | disclosed |
| US-5710292-A | RHENIUM CATALYSTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | disclosed |
| US-5064956-A | Process for preparing mono-n-alkylated polyazamacrocycles | THE DOW CHEMICAL COMPANY (US) | 1991-11-12 | — | — | US | disclosed |
| WO-1990007261-A2 | PROCESS FOR PREPARING MONO-N-ALKYLATED POLYAZAMACROCYCLES | THE DOW CHEMICAL COMPANY (US) | 1990-07-12 | — | — | WO | disclosed |
| EP-0374929-A1 | Process for preparing mono-n-alkylated polyazamacrocycles | THE DOW CHEMICAL COMPANY (US) | 1990-06-27 | — | — | EP | disclosed |