SCHEMBL6687591

SCHEMBL6687591

CC(C)CC#CCO

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
SCHEMBL4525037 0.79
SCHEMBL5578207 0.77
Methyl Alcohol SCHEMBL28712278 0.71
SCHEMBL1266810 0.71
SCHEMBL711907 0.71
SCHEMBL9607137 0.71 TSHR (0.50)
SCHEMBL21846944 0.71
SCHEMBL10405924 0.71
SCHEMBL148914 0.71
SCHEMBL4595691 0.69 TRPA1 (0.32)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675141-B2 Copolymer compositions containing hydroxyl functional (meth)acrylates and hydroxyalkyl carbamate (meth)acrylates and mixtures thereof UNION CARBIDE CHEM PLASTIC (US) 2004-09-29 EP claimed
EP-0675141-B1 Copolymer compositions containing hydroxyl functional (meth)acrylates and hydroxyalkyl carbamate (meth)acrylates and mixtures thereof UNION CARBIDE CHEM PLASTIC (US) 1998-06-03 EP claimed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
EP-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 EP disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 US disclosed
US-4864017-A Novel renin inhibiting peptides having a dihyroxyethylene isostere transition state insert THE UPJOHN COMPANY (US) 1989-09-05 US disclosed
EP-0237202-A2 Novel renin inhibiting peptides having a dihydroxyethylene isostere transition state insert THE UPJOHN COMPANY (US) 1987-09-16 EP disclosed
WO-1987005302-A1 NOVEL RENIN-INHIBITING PEPTIDES HAVING A DIHYDROXYETHYLENE ISOSTERE TRANSITION STATE INSERT THE UPJOHN COMPANY (US) 1987-09-11 WO disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 EP disclosed