SCHEMBL7361031

SCHEMBL7361031

[CH2]OC(C)C(=O)OCC

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
SCHEMBL15649073 0.79 ALDH1A1 (0.48)
SCHEMBL5367636 0.77
SCHEMBL37035 0.77 ALDH1A1 (0.46)
SCHEMBL8223259 0.77
SCHEMBL12951628 0.77
SCHEMBL195331 0.77
SCHEMBL16870267 0.76 ALDH1A1 (0.40)
SCHEMBL4676669 0.76 ALDH1A1 (0.40)
SCHEMBL7361116 0.76
SCHEMBL4334264 0.75 ALDH1A1 (0.43)

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 12 patents. 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-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP disclosed
US-6258817-B1 PRODRUGS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS ZENECA LTD. (GB) 2001-07-10 US disclosed
US-6060475-A Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof ZENECA LIMITED (GB) 2000-05-09 US disclosed
US-5866568-A ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO disclosed
EP-0415641-B1 Substituted glutaramic acids and derivatives ROHM & HAAS (US) 1994-01-19 EP disclosed
US-5238908-A HERBICIDAL GLUTARAMIC ACIDS AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1993-08-24 US disclosed
EP-0415641-A1 Substituted glutaramic acids and derivatives ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed