Acetic Acid

Acetic Acid

SCHEMBL9401153

CC(=O)O.CCC(CCC(=O)O)C(=O)O

nearest known ligand 0.58

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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
FOLH1 Q04609 12/20 0.58
CA2 P00918 1/20 0.56
MAPK1 P28482 1/20 0.56
GRM3 Q14832 2/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50

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
SCHEMBL1722576 0.95 FOLH1 (0.62) FOLH1CA2MAPK1GRM3NAALAD2
Hydrochloric Acid SCHEMBL5841423 0.93 FOLH1 (0.60) FOLH1CA2MAPK1GRM3NAALAD2
SCHEMBL29103756 0.93 FOLH1 (0.60) FOLH1CA2MAPK1GRM3NAALAD2
SCHEMBL28305853 0.86 FOLH1 (0.58) FOLH1CA2MAPK1GRM3NAALAD2
SCHEMBL723389 0.84 CA2 (0.58) FOLH1CA2MAPK1
SCHEMBL723391 0.84 FOLH1 (0.48) FOLH1GRM3NAALAD2
2-Ethylhexanoic Acid SCHEMBL4631697 0.82 CA2 (0.74) FOLH1CA2MAPK1
SCHEMBL516282 0.82 CA2 (0.68) FOLH1CA2MAPK1
Butyric Acid SCHEMBL4630360 0.82 HDAC1 (0.59) FOLH1CA2MAPK1GRM3
SCHEMBL14360761 0.81 CA2 (0.50) FOLH1CA2MAPK1GRM3NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638728-B1 CELLULOSE BASED COMPOSITION WOODLY OY (FI) 2023-06-07 EP disclosed
US-11466142-B2 Cellulose based composition WOODLY OY (FI) 2022-10-11 US disclosed
US-20200199332-A1 CELLULOSE BASED COMPOSITION WOODLY OY (FI) 2020-06-25 US disclosed
EP-3638728-A1 CELLULOSE BASED COMPOSITION Woodly Oy (FI) 2020-04-22 EP disclosed
CN-110869432-A Cellulose-based composition 伍德利有限公司 2020-03-06 CN disclosed
WO-2018228744-A1 CELLULOSE BASED COMPOSITION WELMU INTERNATIONAL OY (FI) 2018-12-20 WO disclosed
US-5292876-A Nonionic surfactants EASTMAN KODAK COMPANY (US) 1994-03-08 US disclosed
US-5292876-A Nonionic surfactants EASTMAN KODAK COMPANY (US) 1994-03-08 US disclosed