SCHEMBL123531

SCHEMBL123531

[CH]1COOO1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2140409 0.89
SCHEMBL248228 0.78
SCHEMBL56295 0.65
SCHEMBL17100739 0.65
Hydrochloric Acid SCHEMBL2731248 0.62
SCHEMBL3632295 0.58
SCHEMBL25274857 0.57
SCHEMBL237328 0.52
SCHEMBL1190870 0.52
SCHEMBL8853909 0.50

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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247937-A1 CYCLOSPORINE ANALOGUES UCL BUSINESS LTD (GB) 2023-12-28 WO disclosed
EP-3534887-B1 CANCER THERAPY FOR MIXED LINEAGE LEUKEMIA UCL BUSINESS LTD (GB) 2023-09-20 EP disclosed
US-20230165964-A1 Pharmaceutically Active Agent Complexes, Polymer Complexes, and Compositions and Methods Involving the Same DURECT CORP (US) 2023-06-01 US disclosed
US-20230159593-A1 CYCLOSPORINE ANALOGUES UCL BUSINESS LTD (GB) 2023-05-25 US disclosed
EP-4149555-A1 CYCLOSPORINE ANALOGUES UCL Business Ltd (GB) 2023-03-22 EP disclosed
US-11529420-B2 Pharmaceutically active agent complexes, polymer complexes, and compositions and methods involving the same DURECT CORPORATION (US) 2022-12-20 US disclosed
EP-2773720-B1 PROCESS FOR TREATING AN UNDERGROUND FORMATION CLEANSORB LTD (GB) 2022-07-13 EP disclosed
CN-113939544-A Non-core-shell polymer particles 悉尼大学 2022-01-14 CN disclosed
WO-2021229237-A1 CYCLOSPORINE ANALOGUES UCL BUSINESS LTD (GB) 2021-11-18 WO disclosed
US-11071720-B2 Cancer therapy UCL BUSINESS LTD (GB) 2021-07-27 US disclosed
US-6323207-B1 TREATMENT OR REDUCTION OF TISSUE DAMAGE DUE TO ISCHAEMIA WHICH COMPRISES ADMINISTERING TO A HOST SUFFERING FROM ISCHAEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-27 US disclosed
CN-1072663-C benzoylguanidine derivatives, process for their preparation and their use in the preparation of pharmaceutical compositions BOEHRINGER INTELLEIM KG (DE) 2001-10-10 CN disclosed
US-6127423-A USED IN DISEASES IN WHICH THE LTB4-RECEPTOR-ANTAGONISTIC PROPERTIES PLAY A PART, INCLUDING ARTHRITIS, ASTHMA, CHRONIC OBSTRUCTIVE LUNG DISEASES, E.G., CHRONIC BRONCHITIS, PSORIASIS, ULCERATIVE COLITIS, GASTRO- OR ENTEROPATHY BOEHRINGER INGELHEIM KG (DE) 2000-10-03 US disclosed
US-6114335-A Benzoylguanidine derivatives, process for their preparation their use in the preparation of medicines BOEHRINGER INGELHEIM KG (DE) 2000-09-05 US disclosed
EP-0937041-A1 PURE ENANTIOMER BASIC ARYL-CYCLOALKYL-HYDROXYCARBOXYLIC ACID ESTERS, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS Noe, Christian R. (DE) 1999-08-25 EP disclosed
CN-1208409-A Novel benzoyl guanidine derivatives process for their preparation and their use in the preparation of medicines BOEHRINGER INGELHEIM KG (DE) 1999-02-17 CN disclosed
CN-1204315-A Novel phenylamidine derivatives, process for preparing same and use thereof as pharmaceutical composition BOEHRINGER INGELHEIM KG (DE) 1999-01-06 CN disclosed
EP-0882031-A1 NOVEL BENZOYL GUANIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF MEDICINES Boehringer Ingelheim Pharma KG (DE) 1998-12-09 EP disclosed
WO-1998021183-A1 PURE ENANTIOMER BASIC ARYL-CYCLOALKYL-HYDROXYCARBOXYLIC ACID ESTERS, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS NOE CHRISTIAN R (AT) 1998-05-22 WO disclosed
WO-1997026253-A1 NOVEL BENZOYL GUANIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 1997-07-24 WO disclosed