SCHEMBL2042986

SCHEMBL2042986

[CH2]CCCNC(=O)OC

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
SCHEMBL2050973 0.93 EPHX1 (0.63)
SCHEMBL1897385 0.91 EPHX1 (0.67)
SCHEMBL28427280 0.91 EPHX1 (0.67)
SCHEMBL499406 0.85
SCHEMBL7252127 0.85 EPHX1 (0.77)
SCHEMBL14433357 0.85 EPHX1 (0.70)
SCHEMBL7788927 0.82 EPHX1 (0.82)
SCHEMBL717081 0.82 EPHX1 (0.82)
SCHEMBL14252129 0.82 EPHX1 (0.82)
SCHEMBL7788937 0.82 EPHX1 (0.82)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842196-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-11-21 EP claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US claimed
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 US claimed
CN-1192015-C Cell adhesion inhibitors BIOGEN INC (US) 2005-03-09 CN claimed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP claimed
US-6239108-B1 Cell adhesion inhibitors BIOGEN, INC. 2001-05-29 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 WO claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
CN-104302644-A Thiazolecarboxamide derivatives and methods of use thereof NIHON NOHYAKU CO LTD 2015-01-21 CN disclosed
US-7956182-B2 Process for preparing optically active alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
US-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
US-3996382-A Phenoxy-hydroxypropylamines, their preparation, and method and pharmaceutical preparations for treating cardiovascular diseases AKTIEBOLAGET HASSLE (SW) 1976-12-07 US disclosed
US-3956335-A HYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed
US-3949088-A Substituted phenoxy propanol amines used for treating cardiovascular diseases SAMUELSSON BENNY ROGER 1976-04-06 US disclosed