Acetic Acid

Acetic Acid

SCHEMBL146381

CC#N.CC(=O)[O-].CC(C)(C)P(C1CCCCC1)C1CCCCC1.CC(C)(C)P(C1CCCCC1)C1CCCCC1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Pd+2]

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 SCHEMBL2803743 1.00 — —
Acetic Acid SCHEMBL16242784 1.00 — —
Acetic Acid SCHEMBL983718 0.87 — —
Acetic Acid SCHEMBL6521750 0.80 — —
Acetic Acid SCHEMBL1715210 0.80 — —
Acetonitrile SCHEMBL166141 0.72 — —
Acetic Acid SCHEMBL1714983 0.71 — —
Acetic Acid SCHEMBL3783936 0.69 FFAR3 (0.30) —
Acetic Acid SCHEMBL30750786 0.69 CA1 (0.42) —
Acetic Acid SCHEMBL6353845 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175123-B2 Gate insulator layer for organic electronic devices MERCK PATENT GMBH (DE) 2015-11-03 — — US disclosed
US-20120056249-A1 INTERLAYER FOR ELECTRONIC DEVICES PROMERUS LLC (US) 2012-03-08 — — US disclosed
US-20120056183-A1 GATE INSULATOR LAYER FOR ORGANIC ELECTRONIC DEVICES PROMERUS LLC (US) 2012-03-08 — — US disclosed
EP-2031007-B1 Top-coat compositions with norbornene-type polymers and immersion lithographic processes using such compositions TOKYO OHKA KOGYO CO LTD (JP) 2011-07-20 — — EP disclosed
EP-1853972-B1 NORBORNENE-TYPE POLYMERS AND THEIR MANUFACTURE PROCESS PROMERUS LLC (US) 2011-07-20 — — EP disclosed
US-20110070543-A1 Aqueous Base-Developable Negative-Tone Films Based On Functionalized Norbornene Polymers PROMERUS LLC (US) 2011-03-24 — — US disclosed
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