SCHEMBL791712

SCHEMBL791712

CC1C(=O)NOC1=O

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
SCHEMBL14217545 0.67
SCHEMBL13678654 0.67
SCHEMBL6493919 0.66 PARP1 (0.42)
SCHEMBL4861014 0.62
SCHEMBL9547990 0.59
SCHEMBL36131 0.59
SCHEMBL18342514 0.59
SCHEMBL15835006 0.58
SCHEMBL14612064 0.57
SCHEMBL583681 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
US-9725442-B2 Heterocyclic derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD. (JP) 2017-08-08 US disclosed
EP-3192794-A1 SUSTAINED HIV PROTEASE INHIBITOR Shionogi & Co., Ltd. (JP) 2017-07-19 EP disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-9334289-B2 Cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO., LTD. (JP) 2016-05-10 US disclosed
US-9242999-B2 Cephem compound having pyridinium group SHIONOGI & CO., LTD. (JP) 2016-01-26 US disclosed
US-20150344502-A1 CEPHEM COMPOUND SHIONOGI & CO., LTD. (JP) 2015-12-03 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 US disclosed
US-20140114060-A1 CEPHEM COMPOUND HAVING PYRIDINIUM GROUP SHIONOGI & CO., LTD. (JP) 2014-04-24 US disclosed
US-20070129327-A1 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129327-A1 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782830-A1 PREVENTIVE AND/OR REMEDY FOR LOWER URINARY TRACT DISEASES CONTAINING EP4 AGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-09 EP disclosed
EP-1782829-A1 PREVENTIVE AND/OR REMEDY FOR HYPERKALEMIA CONTAINING EP4 AGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-09 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed