Acetic Acid

Acetic Acid

SCHEMBL1714983

CC#N.CC(=O)[O-].CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.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 SCHEMBL1469783 1.00 — —
Acetic Acid SCHEMBL30577413 0.92 CA1 (0.31) —
Acetonitrile SCHEMBL3267900 0.88 — —
Acetic Acid SCHEMBL985917 0.82 CA1 (0.38) —
Acetic Acid SCHEMBL3783936 0.79 FFAR3 (0.30) —
Acetic Acid SCHEMBL6353845 0.78 — —
SCHEMBL30577408 0.76 — —
Acetonitrile SCHEMBL985628 0.74 — —
Acetonitrile SCHEMBL30588827 0.74 — —
Acetic Acid SCHEMBL948383 0.72 CA1 (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853972-B1 NORBORNENE-TYPE POLYMERS AND THEIR MANUFACTURE PROCESS PROMERUS LLC (US) 2011-07-20 — — EP claimed
US-8580477-B2 Aqueous base-developable negative-tone films based on functionalized norbornene polymers PROMERUS LLC (US) 2013-11-12 — — US disclosed
US-20060235174-A1 Norbornene-type polymers, compositions thereof and lithographic processes using such compositions PROMERUS LLC (US) 2006-10-19 — — US disclosed
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