Acetic Acid

Acetic Acid

SCHEMBL2218150

CC(=O)O.C[Pb](C)C

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

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 SCHEMBL29706371 0.89
Acetic Acid SCHEMBL7472549 0.84
Acetic Acid SCHEMBL1331810 0.84
Acetic Acid SCHEMBL1330415 0.84
Acetic Acid SCHEMBL41073 0.84 FFAR3 (1.00)
Acetic Acid SCHEMBL1674512 0.84 FFAR3 (1.00)
Acetic Acid SCHEMBL11142541 0.84 FFAR3 (1.00)
Acetic Acid SCHEMBL8742314 0.84 FFAR3 (1.00)
Acetic Acid SCHEMBL1331719 0.84
Acetic Acid SCHEMBL6788 0.84 FFAR3 (1.00)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710032-B2 Inhibitors of the mevalonate pathway of Streptococcus pneumoniae NORTHWESTERN UNIVERSITY (US) 2014-04-29 US disclosed
US-8673552-B2 Druggable regions in the dengue virus envelope glycoprotein and methods of using the same CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-03-18 US disclosed
US-20110178043-A1 Inhibitors of the mevalonate pathway of streptococcus pneumoniae NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-21 US disclosed
US-20100298164-A1 STRUCTURE-BASED APPROACH TO DESIGN OF INHIBITORS OF PROTEIN-PROCESSIVITY FACTOR INTERACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-11-25 US disclosed
US-7799547-B2 Purified polypeptides from Staphylococcus aureus AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-21 US disclosed
US-20100105151-A1 Novel Druggable Regions in the Dengue Virus Envelope Glycoprotein and Methods of Using the Same CHILDREN'S MEDICAL CENTER CORPORATION (US) 2010-04-29 US disclosed
US-7601526-B2 Purified FabI polypeptides from Fransicella tularensis AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-10-13 US disclosed
US-20090132178-A1 Crystalline enoyl-(acyl-carrier-protein) Reductase from Heliobacter Pylori AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-05-21 US disclosed
US-7524624-B2 Druggable regions in the dengue virus envelope glycoprotein and methods of using the same CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-04-28 US disclosed
US-20090035753-A9 Novel druggable regions in the dengue virus envelope glycoprotein and methods of using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-05 US disclosed
EP-0862621-A1 CRYSTALLINE FRAP COMPLEX CORNELL RESEARCH FOUNDATION, INC. (US) 1998-09-09 EP disclosed
EP-0847443-A1 CRYSTALLINE ZAP FAMILY PROTEINS ARIAD PHARMACEUTICALS, INC. (US) 1998-06-17 EP disclosed
WO-1997008300-A9 CRYSTALLINE ZAP FAMILY PROTEINS 1997-05-22 WO disclosed
WO-1997015659-A1 CRYSTALLINE FRAP COMPLEX CORNELL RESEARCH FOUNDATION, INC. (US) 1997-05-01 WO disclosed
WO-1997008300-A1 CRYSTALLINE ZAP FAMILY PROTEINS ARIAD PHARMACEUTICALS, INC. (US) 1997-03-06 WO disclosed
EP-0646599-A2 Modification of pertussis toxin CONNAUGHT LABORATORIES LIMITED (CA) 1995-04-05 EP disclosed
US-4554397-A Use of a catalyst comprising nickel and at least one metal from the group consisting of tin, germanium and lead INSTITUT FRANCAIS DU PETROLE (FR) 1985-11-19 US disclosed
US-4247689-A Preparation of isocyanate derivatives of 1,3[oxazoles, oxazines, diazoles and diazines] BAYER AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
US-4242489-A Process for preparing polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
US-4173567-A Isocyanate derivatives of 1,3[oxazoles, oxazines, diazoles and diazines] BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 US disclosed