SCHEMBL2209103

SCHEMBL2209103

NC1=C(C(=O)O)CCC1

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
SCHEMBL4023693 0.95 TSHR (0.32) —
SCHEMBL10123519 0.95 TSHR (0.32) —
SCHEMBL16087240 0.83 — —
SCHEMBL252263 0.80 DHODH (0.45) —
SCHEMBL18757668 0.79 — —
SCHEMBL4363694 0.78 — —
SCHEMBL8197869 0.77 KDM4E (0.38) —
SCHEMBL14081363 0.77 KDM4E (0.38) —
SCHEMBL18535196 0.77 — —
SCHEMBL11406762 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995586-B Synthetic method of agricultural herbicide 蚌埠学院 2023-03-21 — — CN claimed
CN-111995586-A Synthetic method of agricultural herbicide 蚌埠学院 2020-11-27 — — CN claimed
EP-1781339-A1 COMPOUNDS OF THE INVENTIONS OF GUANYLYL CYCLASE C THOMAS JEFFERSON UNIVERSITY (US) 2007-05-09 — — EP claimed
WO-2006012264-A1 COMPOUNDS OF THE INVENTIONS OF GUANYLYL CYCLASE C THOMAS JEFFERSON UNIVERSITY (US) 2006-02-02 — — WO claimed
US-20050287067-A1 Compounds of the inventions of guanylyl cyclase C THOMAS JEFFERSON UNIVERSITY 2005-12-29 — — US claimed
CN-111995586-B Synthetic method of agricultural herbicide 蚌埠学院 2023-03-21 — — CN disclosed
CN-111995586-B Synthetic method of agricultural herbicide 蚌埠学院 2023-03-21 — — CN disclosed
CN-111995586-A Synthetic method of agricultural herbicide 蚌埠学院 2020-11-27 — — CN disclosed
CN-111995586-A Synthetic method of agricultural herbicide 蚌埠学院 2020-11-27 — — CN disclosed
US-9447146-B2 Guanylylcyclase C ligands THOMAS JEFFERSON UNIVERSITY (US) 2016-09-20 — — US disclosed
US-20140147380-A1 GUANYLYLCYCLASE C LIGANDS THOMAS JEFFERSON UNIVERSITY (US) 2014-05-29 — — US disclosed
EP-2722060-A2 Guanylyl cyclase C ligands Thomas Jefferson University (US) 2014-04-23 — — EP disclosed
WO-2005044264-A1 CCR-2 ANTAGONIST SALT MERCK & CO., INC. (US) 2005-05-19 — — WO disclosed
US-20040142949-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-07-22 — — US disclosed
WO-2004034972-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-04-29 — — WO disclosed
CN-1479724-A Pyridone derivatives for the treatment of atherosclerosis ʷ��˿�������ȳ�ķ���޹�˾ 2004-03-03 — — CN disclosed
WO-2004009036-A2 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-01-29 — — WO disclosed
US-6147254-A Process for resolving mixtures of carbocyclic stereoisomers GLAXO WELLCOME INC. (US) 2000-11-14 — — US disclosed
EP-0946496-A2 PROCESS FOR RESOLVING MIXTURES OF CARBOCYCLIC STEREOISOMERS GLAXO GROUP LIMITED (GB) 1999-10-06 — — EP disclosed
WO-1998024741-A2 PROCESS FOR RESOLVING MIXTURES OF CARBOCYCLIC STEREOISOMERS GLAXO GROUP LIMITED (GB) 1998-06-11 — — WO disclosed
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