Acetic Acid

Acetic Acid

SCHEMBL4455200

CC(=O)[O-].CC(=O)[O-].CC(C)(C)[Sn+2]C(C)(C)C

nearest known ligand 0.53

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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.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA4 P22748 2/20 0.39
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL383626 0.85 CA4 (0.40) CA1CA4
SCHEMBL383628 0.85 CA4 (0.40) CA1CA4
Fumaric Acid SCHEMBL384838 0.79 BBOX1 (0.36) CA1
Acetic Acid SCHEMBL14940696 0.72 CA1 (0.61) CA1CA4LMNAALDH1A1TSHR
Acetic Acid SCHEMBL153505 0.69 CA1 (1.00) CA1CA4LMNATSHR
Acetic Acid SCHEMBL20830 0.69
Acetic Acid SCHEMBL103950 0.69
Acetic Acid SCHEMBL116885 0.69 CA1 (0.89) CA1CA4LMNAALDH1A1TSHR
Acetic Acid SCHEMBL1254 0.69
Acetic Acid SCHEMBL272317 0.69 CA1 (0.89) CA1CA4LMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456746-B1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE BRIDGESTONE CORP (JP) 2023-04-19 EP disclosed
WO-2022124058-A1 POLYMER-METAL COMPLEX, TIRE, AND POLYMER ARTICLE 株式会社ブリヂストン 2022-06-16 WO disclosed
EP-1958980-B1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORP (JP) 2012-10-31 EP disclosed
US-20090270525-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORPORATION (JP) 2009-10-29 US disclosed
EP-1958980-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR Corporation (JP) 2008-08-20 EP disclosed
EP-0175986-B1 FILLER-CONTAINING SILICONE COMPOSITIONS Dietrich, Heinz J., Dr. (DE) 1990-03-14 EP disclosed
EP-0175986-A1 Filler-containing silicone compositions Dietrich, Heinz J., Dr. (DE) 1986-04-02 EP disclosed