SCHEMBL3863153

SCHEMBL3863153

[CH2]C(Cl)CCCBr

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
SCHEMBL6101237 0.91
SCHEMBL9318011 0.83
SCHEMBL10575988 0.73
SCHEMBL3118664 0.71
SCHEMBL8862230 0.71
SCHEMBL10577991 0.71
SCHEMBL8595366 0.69
SCHEMBL42880 0.69
SCHEMBL10103919 0.69
SCHEMBL10112607 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009076272-A2 DRUG COATED STENT WITH ENDOSOME-DISRUPTING CONJUGATE BOSTON SCIENTIFIC SCIMED, INC. (US) 2009-06-18 WO disclosed
EP-1943361-A4 THE GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF GENETIC VARIATION OF ALDOSTERONE SYNTHASE PROMOTER POLYMORPHISM NITROMED INC (US) 2009-04-15 EP disclosed
EP-1670459-A4 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2009-03-25 EP disclosed
EP-1668008-A4 NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2009-02-25 EP disclosed
EP-2024337-A1 SOLID DOSAGE FORMULATIONS OF HYDRALAZINE COMPOUNDS Nitromed, Inc. (US) 2009-02-18 EP disclosed
EP-2010169-A2 THE GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF THE GENETIC VARIATION OF G-PROTEIN BETA 3 SUBUNIT POLYMORPHISM Nitromed, Inc. (US) 2009-01-07 EP disclosed
EP-1692107-A4 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-10-29 EP disclosed
EP-1984010-A2 METHODS USING HYDRALAZINE COMPOUNDS AND ISOSORBIDE DINITRATE OR ISOSORBIDE MONONITRATE Nitromed, Inc. (US) 2008-10-29 EP disclosed
EP-1954685-A2 FUROXAN COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2008-08-13 EP disclosed
EP-1945030-A2 THE GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF GENETIC VARIATION OF BETA 1 ADRENERGIC RECEPTOR GLY389ARG POLYMORPHISM Nitromed, Inc. (US) 2008-07-23 EP disclosed
WO-2000054773-A1 DOPAMINE AGONISTS IN COMBINATION WITH NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-09-21 WO disclosed
WO-2000051978-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METODS OF USE NITROMED, INC. (US) 2000-09-08 WO disclosed
WO-2000050037-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-08-31 WO disclosed
WO-2000012076-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2000-08-17 WO disclosed
WO-2000028988-A1 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-25 WO disclosed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 WO disclosed
WO-2000012075-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 WO disclosed
WO-2000012076-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 WO disclosed
EP-0904266-A1 NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS Nitromed, Inc. (US) 1999-03-31 EP disclosed
WO-1997034871-A1 NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS NITROMED, INC. (US) 1997-09-25 WO disclosed