SCHEMBL2951344

SCHEMBL2951344

CC([C]=O)CC(=O)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
SCHEMBL4972026 0.80 SLC22A6 (0.43)
SCHEMBL1267259 0.78
SCHEMBL31695200 0.76
SCHEMBL6039933 0.76
SCHEMBL3104240 0.76
SCHEMBL10870839 0.76
SCHEMBL11502923 0.76
SCHEMBL17393286 0.76
SCHEMBL1395015 0.76
SCHEMBL7064870 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355642-A1 MONO- AND BISALKYLENETRIALKOXYSILANE DISPERSANTS FOR HYDRAULIC BINDERS BASF SE (DE) 2017-12-14 US disclosed
EP-3209707-A1 MONO- AND BISALKYLENE TRIALKOXYSILANES AS DISPERSANTS FOR HYDRAULIC BINDERS BASF SE (DE) 2017-08-30 EP disclosed
US-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 US disclosed
US-20060252839-A1 Pharmaceutical compositions BIOGEM S.C.A.R.L. (IT) 2006-11-09 US disclosed
EP-1487789-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS Charterhouse Therapeutics Ltd. (GB) 2004-12-22 EP disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
WO-2003082813-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS CHARTERHOUSE THERAPEUTICS LIMITED (GB) 2003-10-09 WO disclosed
US-20030186941-A1 Cyclopenteneone derivatives CHARTERHOUSE THERAPEUTICS LTD. (GB) 2003-10-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP disclosed
US-5008290-A Anticoagulant DR. KARL THOMAE GMBH (DE) 1991-04-16 US disclosed
EP-0193853-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-09-12 EP disclosed
US-4929754-A CARDIOVASCULAR DISORDERS, ANTICOAGULANTS, ANTITUMOR AGENTS DR. KARL THOMAE GMBH (DE) 1990-05-29 US disclosed
US-4870076-A ANTICOAGULANTS KARL THOMAE GMBH (DE) 1989-09-26 US disclosed
US-4820705-A ANTITUMOR, CARDIOVASCULR DISORDERS DR. KARL THOMAE GMBH (DE) 1989-04-11 US disclosed
US-4783462-A 3(2H)pyridazinone, and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-11-08 US disclosed
EP-0193853-A2 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-09-10 EP disclosed
US-4139537-A 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds COOPER LABORATORIES, INC. (US) 1979-02-13 US disclosed