Acetic Acid

Acetic Acid

SCHEMBL5066150

CC(=O)O.CCCO.N

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Acetic Acid SCHEMBL146128 0.96
Acetic Acid SCHEMBL31228715 0.96 FFAR3 (0.54)
Acetic Acid SCHEMBL27592793 0.93
Acetic Acid SCHEMBL4970317 0.93
Acetic Acid SCHEMBL2785265 0.93
Acetic Acid SCHEMBL10644131 0.93 FFAR3 (0.50)
Acetic Acid SCHEMBL27534278 0.87 FFAR3 (0.44)
Acetic Acid SCHEMBL21834420 0.87 FFAR3 (0.44)
Acetic Acid SCHEMBL29226934 0.85
Acetic Acid SCHEMBL4168552 0.85 FFAR3 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080152652-A1 Ligand for the c-kit receptor and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2008-06-26 US disclosed
US-20050276784-A1 Ligand for the c-kit receptor and methods of use thereof SOLAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2005-12-15 US disclosed
US-20030125519-A1 Stem cell factor; anticarcinogenic/antiproliferative/antitumor agents; antiallergens NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-03 US disclosed
US-20030103937-A1 Ligand for the c-kit receptor and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-06-05 US disclosed
US-6403559-B1 GERM CELLS, MAST CELLS AND MELANOCYTES; STEM CELL FACTOR SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2002-06-11 US disclosed
EP-0639979-B1 LIGAND FOR THE c-KIT RECEPTOR AND METHODS OF USE THEREOF SLOAN KETTERING INST BR FOR CA (US) 2001-10-04 EP disclosed
EP-1127577-A2 Ligand for the c-kit receptor and methods of use thereof Sloan-Kettering Institute For Cancer Research (US) 2001-08-29 EP disclosed
US-6159461-A Use of c-kit ligand with TNF-α and hematopoietic factors for the expansion or differentiation of hematopoietic cells SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2000-12-12 US disclosed
US-6001803-A Composition of c-kit ligand, GM-CSF, and TNF-α and method of use SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1999-12-14 US disclosed
US-5935565-A ADMINISTERING TO THE MAMMAL A PHARMACEUTICAL COMPOSITION COMPRISING SOLUBLE C-KIT LIGAN POLYPEPTIDE, A HEMATOPOIETIC FACTOR OR FACTORS AND A CARRIER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1999-08-10 US disclosed
US-5767074-A COMPRISES A SOLUBLE C-KIT LIGAND PROTEIN AND ONE OR MORE HEMATOPOIETIC FACTORS SELECTED FROM INTERLEUKINS, GRANULOCYTE-MACROPHAGE-COLONY STIMULATING FACTOR, GRANULOCYTE-COLONYL STIMULATING FACTOR OR ERYTHROPOIETIN SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-06-16 US disclosed
EP-0639979-A4 LIGAND FOR THE c-KIT RECEPTOR AND METHODS OF USE THEREOF. SLOAN KETTERING INST CANCER (US) 1996-10-23 EP disclosed
EP-0639979-A1 LIGAND FOR THE c-KIT RECEPTOR AND METHODS OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 1995-03-01 EP disclosed
EP-0546054-A4 1994-04-27 EP disclosed
WO-1993021936-A1 LIGAND FOR THE c-KIT RECEPTOR AND METHODS OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-11 WO disclosed
EP-0546054-A1 LIGAND FOR THE c-KIT RECEPTOR AND METHODS OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 1993-06-16 EP disclosed
WO-1992003459-A1 LIGAND FOR THE c-KIT RECEPTOR AND METHODS OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-03-05 WO disclosed