SCHEMBL1387290

SCHEMBL1387290

C=C(C)CCO[C]=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
SCHEMBL6720590 0.86
SCHEMBL8612937 0.79 THRB (0.31)
SCHEMBL9869091 0.77
SCHEMBL164045 0.75 THRB (0.31)
SCHEMBL513709 0.74
SCHEMBL6725175 0.73
SCHEMBL6725170 0.73
SCHEMBL7455906 0.72 CYP1A2 (0.34)
SCHEMBL7026988 0.71
SCHEMBL4186849 0.70 ALDH1A1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP claimed
EP-0516392-B1 Naphthyridine derivatives as angiotensin II inhibitors ASTRAZENECA AB (SE) 2001-08-29 EP claimed
US-6083951-A FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 2000-07-04 US claimed
EP-0752986-B1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LTD (GB) 1999-05-19 EP claimed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US claimed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
JP-H09510987-A 1997-11-04 JP claimed
US-5641793-A POSSESS ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY; USEFUL IN TREATMENT OF HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 1997-06-24 US claimed
EP-0752986-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1997-01-15 EP claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed
US-5198439-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US claimed
EP-0520723-A1 Angiotensin II antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-30 EP claimed
EP-0520724-A1 Angiotensin II antagonists ZENECA LIMITED (GB) 1992-12-30 EP claimed
EP-0516392-A2 Naphthyridine derivatives as angiotensin II inhibitors ZENECA LIMITED (GB) 1992-12-02 EP claimed
EP-0511791-A2 Pyrrolopyridine derivatives as Angiotensin inhibitors ZENECA LIMITED (GB) 1992-11-04 EP claimed
EP-0499414-A2 Pyridine derivatives as angiotensin II antagonists, processes for their preparation and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1992-08-19 EP claimed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP claimed
EP-0499416-A2 Pyridine compounds as angiotensin II antagonists, processes for their preparation and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1992-08-19 EP claimed
US-5130318-A Hypotensive agents and for treatment of congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-14 US claimed
EP-0453210-A2 Pyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP claimed