SCHEMBL1644130

SCHEMBL1644130

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
SCHEMBL3328080 1.00
SCHEMBL3330387 1.00
2-Oxoisohexanoate SCHEMBL7185279 0.85 CA2 (0.37)
Valine SCHEMBL22070191 0.83 SLC7A5 (0.58)
SCHEMBL13011645 0.80 CACNA2D1 (0.38)
SCHEMBL6439560 0.80 SLC22A6 (0.43)
SCHEMBL6439563 0.80 SLC22A6 (0.43)
SCHEMBL7531470 0.79 CACNA2D1 (0.36)
SCHEMBL28054325 0.79 SLC22A6 (0.50)
SCHEMBL10406061 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180003723-A1 METHODS AND SYSTEMS FOR DIAGNOSING SLEEP DISORDERS STEGIA AB (SE) 2018-01-04 US claimed
EP-2979097-B1 TRIMETHYLAMINE AS A BIOMARKER OF PREBIOTIC EFFICACY FOR WEIGHT GAIN PREVENTION NESTEC SA (CH) 2016-12-28 EP claimed
EP-2083639-B1 TASTE AND FLAVOUR MODULATION BY BIOTRANSFORMATION IN MILK PRODUCTS NESTEC SA (CH) 2016-04-06 EP claimed
WO-2016044338-A2 METHODS AND SYSTEMS FOR DIAGNOSING SLEEP DISORDERS OASIS DIAGNOSTICS CORPORATION (US) 2016-03-24 WO claimed
EP-1635806-B1 METHOD FOR TREATING ALCOHOLIC HEPATITIS UNIV PITTSBURGH (US) 2008-05-28 EP claimed
US-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis IDORSIA PHARMACEUTICALS LTD (CH) 2025-07-01 US disclosed
US-20250074944-A1 ACYLATED tRNA, INTRODUCTION OF PHARMACOLOGICALLY ACTIVE MOTIF IN PEPTIDE USING RIBOSOME CATALYSIS AND METHOD OF PREPARING SAME POSTECH Research and Business Development Foundation (KR) 2025-03-06 US disclosed
CN-118369325-A Therapeutic compounds for HIV virus infection 吉利德科学公司 2024-07-19 CN disclosed
US-12029715-B2 Precursor compounds for providing retinoids of the vitamin A5 pathway and uses thereof UNIVERSITY OF DEBRECEN (HU) 2024-07-09 US disclosed
EP-3541783-B1 PRECURSOR COMPOUNDS FOR PROVIDING RETINOIDS OF THE VITAMIN A5 PATHWAY AND USES THEREOF UNIV OF DEBRECEN (HU) 2023-09-27 EP disclosed
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-09-26 US disclosed
US-20230082311-A1 DRUG FOR CURATIVE THERAPY OF INTRACTABLE HEREDITARY RENAL ALPORT SYNDROME NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2023-03-16 US 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
CN-1071427-A 6-Benzoxazinyl and 6-benzothiazine base-2,3,4,5-tetrahydro pyridazine-3-ketone ORTHO PHARMA CORP (US) 1993-04-28 CN 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-4853473-A Preparation of 2(5H)-furanones BASF AKTIENGESELLSCHAFT (DE) 1989-08-01 US disclosed
US-4783462-A 3(2H)pyridazinone, and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-11-08 US disclosed
CN-87108354-A 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones 1988-09-21 CN 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