Acetic Acid

Acetic Acid

SCHEMBL11524564

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCCN.NCCN.NCCN.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

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 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA4 P22748 3/20 0.39
PAOX Q6QHF9 3/20 0.38
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRR1 P24046 2/20 0.32
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Acetic Acid SCHEMBL9656465 1.00 CA1 (0.53) CA1CA4PAOXLMNAALOX15
Acetic Acid SCHEMBL9011842 0.97 CA1 (0.50) CA1CA4PAOXLMNAALOX15
Acetic Acid SCHEMBL927347 0.97 CA1 (0.57) CA1CA4PAOXLMNAALOX15
Acetic Acid SCHEMBL11464429 0.97 CA1 (0.57) CA1CA4PAOXLMNAALOX15
Acetic Acid SCHEMBL468685 0.93 CA1 (0.60) CA1CA4PAOXLMNAALOX15
Acetic Acid SCHEMBL3474894 0.93 CA1 (0.53) CA1CA4PAOXLMNAALOX15
Acetic Acid SCHEMBL10700061 0.93 CA1 (0.53) CA1CA4PAOXLMNAALOX15
Acetic Acid SCHEMBL8032115 0.93 CA1 (0.53) CA1CA4PAOXLMNAALOX15
Acetic Acid SCHEMBL10354359 0.93 CA1 (0.60) CA1CA4PAOXLMNAALOX15
Acetic Acid SCHEMBL8743743 0.93 CA1 (0.60) CA1CA4PAOXLMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760972-B2 Enhanced efficient nitrogen-fixing composite microbial system added with non-nitrogen-fixing bacteria and application thereof Institute of Agricultural Resources and Regional Planning, CAAS (CN) 2023-09-19 US disclosed
US-20230101720-A1 ENHANCED EFFICIENT NITROGEN-FIXING COMPOSITE MICROBIAL SYSTEM ADDED WITH NON-NITROGEN-FIXING BACTERIA AND APPLICATION THEREOF INSTITUTE OF AGRICULTURAL RESOURCES AND REGIONAL PLANNING,CAAS (CN) 2023-03-30 US disclosed
CN-115644292-A Iron-rich hawthorn and endothelium corneum gigeriae galli gel soft sweets and preparation method thereof 安徽新天生物科技有限公司 2023-01-31 CN disclosed
CN-115444129-A Nutritional functional food formula for sarcopenia and preparation method thereof 谢琪 2022-12-09 CN disclosed
CN-105948968-A Modified-rice-straw soil modifier for red soil 绩溪袁稻农业产业科技有限公司 2016-09-21 CN disclosed
CN-103288513-A Water planting nutrient solution for edible amaranth UNIV TIANJIN TECHNOLOGY 2013-09-11 CN disclosed
CN-102067969-B Processing method of composite reinforced multinutrition rice TIANJIN TONGLONG AGRICULTURAL S & T CO LTD 2012-12-05 CN disclosed
CN-102067969-A Composite reinforced multinutrition rice and process thereof TIANJIN TONGLONG AGRICULTURAL S & T CO LTD 2011-05-25 CN disclosed
US-4172728-A LITHOGRAPHY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-10-30 US disclosed
US-4113489-A DEVELOPING WITH DIHYDROXYBENZENE AND SULFITE ION, TREATMENT WITH OXIDIZING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 US disclosed