Acetic Acid

Acetic Acid

SCHEMBL16110535

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

nearest known ligand 0.44

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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 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
TSHR P16473 1/20 0.39
CA4 P22748 2/20 0.33
CA2 P00918 1/20 0.31

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
Methacrylic Acid SCHEMBL1359931 0.85 TSHR (0.34) CA1TSHRCA4
L-Lactic Acid SCHEMBL7041762 0.84 TP53 (0.35) TSHR
SCHEMBL2672175 0.84 TSHR (0.32) TSHR
SCHEMBL10518892 0.84 TSHR (0.32) TSHR
SCHEMBL17112 0.82 TSHR (0.31) TSHR
Acetoacetic Acid SCHEMBL451230 0.82 CA4 (0.36) CA1TSHRCA4CA2
SCHEMBL7124536 0.80 ALDH1A1 (0.32) TSHR
Acetoacetic Acid SCHEMBL18488997 0.79 CA4 (0.33) CA1CA4CA2
Butyric Acid SCHEMBL5585989 0.77 FFAR3 (0.58) CA1CA2
SCHEMBL7130544 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111758541-B Water quality purifying component, hydroponic cultivation device and water quality purifying device 富士胶片商业创新有限公司 2023-09-08 CN disclosed
CN-116406328-A Release film 琳得科株式会社 2023-07-07 CN disclosed
US-11547069-B2 Water purification particles, water culture apparatus, and water purification apparatus FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-01-10 US disclosed
US-8999617-B2 Electrostatic charge image developing toner, electrostatic charge image developer, toner cartridge, process cartridge, image forming apparatus, and image forming method FUJI XEROX CO., LTD. (JP) 2015-04-07 US disclosed
US-20140295340-A1 ELECTROSTATIC CHARGE IMAGE DEVELOPING TONER, ELECTROSTATIC CHARGE IMAGE DEVELOPER, TONER CARTRIDGE, PROCESS CARTRIDGE, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD FUJI XEROX CO., LTD. (JP) 2014-10-02 US disclosed