⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL509265 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL899426 | 0.97 | — | — | |
| SCHEMBL27398886 | 0.80 | — | — | |
| SCHEMBL14762390 | 0.80 | SLC1A2 (0.55) | — | |
| SCHEMBL25695753 | 0.79 | — | — | |
| SCHEMBL29087648 | 0.79 | — | — | |
| SCHEMBL14110644 | 0.78 | KDM4E (0.41) | — | |
| SCHEMBL112740 | 0.78 | KDM4E (0.41) | — | |
| SCHEMBL30545241 | 0.77 | GNPAT (0.53) | — | |
| SCHEMBL4605970 | 0.77 | GNPAT (0.53) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4493273-A1 | COMPOUNDS FOR THE DETECTION AND INHIBITION OF COAGULATION PROTEASES | Politechnika Wroclawska (PL) | 2025-01-22 | — | — | EP | claimed |
| WO-2023175356-A1 | COMPOUNDS FOR THE DETECTION AND INHIBITION OF COAGULATION PROTEASES | POLITECHNIKA WROCLAWSKA (PL) | 2023-09-21 | — | — | WO | claimed |
| US-11414329-B2 | Treatment of cyanotoxin-containing water | EVONIK OPERATIONS GMBH (DE) | 2022-08-16 | — | — | US | disclosed |
| US-20160016998-A1 | HIGH-AFFINITY MATRIPTASE INHIBITORS | MERCK PATENT GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| EP-2943502-A1 | HIGH-AFFINITY MATRIPTASE INHIBITORS | Merck Patent GmbH (DE) | 2015-11-18 | — | — | EP | disclosed |
| WO-2014108330-A1 | HIGH-AFFINITY MATRIPTASE INHIBITORS | MERCK PATENT GMBH (DE) | 2014-07-17 | — | — | WO | disclosed |
| WO-2014083582-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2014-06-05 | — | — | WO | disclosed |