SCHEMBL4552841

SCHEMBL4552841

CCCC[CH]OC(N)=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
SCHEMBL304378 0.93 FAAH (0.48)
SCHEMBL1415946 0.86
SCHEMBL128295 0.79
SCHEMBL11570155 0.78 CNR1 (0.48)
SCHEMBL129603 0.77 NAAA (0.43)
SCHEMBL450031 0.76 CA1 (0.39)
SCHEMBL133540 0.76 ALDH1A1 (0.46)
SCHEMBL7293172 0.76 CES1 (0.42)
SCHEMBL1415936 0.75
SCHEMBL449511 0.74 ALDH1A1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP claimed
EP-0957908-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-03-12 EP claimed
EP-1023295-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 2001-01-24 EP claimed
EP-1061934-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-12-27 EP claimed
EP-1023295-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 2000-08-02 EP claimed
EP-0957908-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-11-24 EP claimed
US-5981584-A USEFUL IN THE MANUFACTURE OF A MEDICAMENT FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS, INHIBITING ANGIOGENESIS, INHIBITING OSTEOCLAST MEDIATED BONE RESORPTION, PREVENTING PLATELET THROMBOSIS MERCK & CO., INC. (US) 1999-11-09 US claimed
WO-1999045939-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-09-16 WO claimed
US-5945545-A SUBSTITIUTED AMIDINOBENZENE COMPOUNDS; ANTICOAGULANTS MERCK & CO., INC. (US) 1999-08-31 US claimed
WO-1998034935-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-08-13 WO claimed
WO-1998025601-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-06-18 WO claimed
EP-0957908-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-03-12 EP disclosed
EP-1023295-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 2001-01-24 EP disclosed
EP-1061934-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-12-27 EP disclosed
US-6117842-A INHIBITION OF BINDING OF FIBRINOGEN AND OTHER PROTEINS TO BLOOD PLATELETS, AND INHIBITING AGGREGATION OF BLOOD PLATELETS; MERCK & CO., INC. (US) 2000-09-12 US disclosed
US-5981584-A USEFUL IN THE MANUFACTURE OF A MEDICAMENT FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS, INHIBITING ANGIOGENESIS, INHIBITING OSTEOCLAST MEDIATED BONE RESORPTION, PREVENTING PLATELET THROMBOSIS MERCK & CO., INC. (US) 1999-11-09 US disclosed
WO-1999045939-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-09-16 WO disclosed
US-5945545-A SUBSTITIUTED AMIDINOBENZENE COMPOUNDS; ANTICOAGULANTS MERCK & CO., INC. (US) 1999-08-31 US disclosed
WO-1998034935-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-08-13 WO disclosed
WO-1998025601-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-06-18 WO disclosed