SCHEMBL1007248

SCHEMBL1007248

CCO[CH]OC(C)C

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
SCHEMBL6179273 0.78
SCHEMBL6176004 0.78
SCHEMBL6175615 0.74 ALDH1A1 (0.31)
SCHEMBL14991554 0.74
SCHEMBL6178476 0.74 ADRB2 (0.35)
SCHEMBL1562061 0.73
SCHEMBL12226 0.73
SCHEMBL7709730 0.70
Ethoxycarbonyl Group SCHEMBL3383091 0.70
SCHEMBL29011891 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992363-B1 TRANSDERMAL ABSORPTION PREPARATION HISAMITSU PHARMACEUTICAL CO (JP) 2012-12-19 EP claimed
CN-102026664-A Composition of stabilized beta blocker and percutaneous absorption preparation containing the same TEIKOKU SEIYAKU KK 2011-04-20 CN claimed
EP-2269653-A1 COMPOSITION FOR STABILIZING -BLOCKER, AND TRANSDERMALLY ABSORBABLE PREPARATION COMPRISING THE COMPOSITION Teikoku Seiyaku Co., Ltd. (JP) 2011-01-05 EP claimed
US-20110104247-A1 COMPOSITION FOR STABILIZING BETA-BLOCKER AND TRANSDERMALLY ABSORBABLE PREPARATION COMPRISING THE SAME TEIKOKU SEIYAKU CO., LTD. (JP) 2011-05-05 US disclosed
CN-102026664-A Composition of stabilized beta blocker and percutaneous absorption preparation containing the same TEIKOKU SEIYAKU KK 2011-04-20 CN disclosed
EP-2269653-A1 COMPOSITION FOR STABILIZING -BLOCKER, AND TRANSDERMALLY ABSORBABLE PREPARATION COMPRISING THE COMPOSITION Teikoku Seiyaku Co., Ltd. (JP) 2011-01-05 EP disclosed
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
US-20040198797-A1 Process for the preparation of herbicidal derivatives MAETZKE THOMAS (CH) 2004-10-07 US disclosed
CN-1140528-C Process for preparing herbicidal derivatives �����ɷ� 2004-03-03 CN disclosed
EP-1183317-B1 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-09-17 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-6552187-B1 Cyclization condensation of arylmalonic acid diamides or arylmalonic acid monoamides with hydrazine derivatives forming substituted 3-hydroxy-4-aryl-5-oxopyrazolines; high yield and purity SYNGENTA CROP PROTECTION, INC. 2003-04-22 US disclosed
CN-1355806-A Process for preparation of herbicidal derivatives SYNGENA PARTICIPATIONS AG (CH) 2002-06-26 CN disclosed
EP-1185506-A1 SUBSTITUTED ARYLMALONIC ACID DINITRILES AS INTERMEDIATES FOR THE PREPARATION OF HERBICIDES Syngenta Participations AG (CH) 2002-03-13 EP disclosed
EP-1183317-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES Syngenta Participations AG (CH) 2002-03-06 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
WO-2000078712-A1 SUBSTITUTED ARYLMALONIC ACID DINITRILES AS INTERMEDIATES FOR THE PREPARTION OF HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-12-28 WO disclosed
WO-2000078881-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYGENTA PARTICIPATIONS AG (CH) 2000-12-28 WO disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed