Acetoacetic Acid

Acetoacetic Acid

SCHEMBL597206

CC(=O)CC(=O)O.CCOC(=O)CC(C)=O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
MGAM O43451 2/20 0.61
SI P14410 2/20 0.61
MGAM2 Q2M2H8 2/20 0.61
ALDH1A1 P00352 6/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EGLN1 Q9GZT9 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
ALOX15 P16050 2/20 0.37
SOAT1 P35610 1/20 0.37
MEN1 O00255 1/20 0.36

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
Acetoacetic Acid SCHEMBL18911553 1.00 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Acetoacetic Acid SCHEMBL18911562 1.00 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Acetoacetic Acid SCHEMBL28887750 0.98 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
Acetoacetic Acid SCHEMBL28635520 0.98 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8751045 0.95 GAA (0.68) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid SCHEMBL20377480 0.95 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Acetic Acid SCHEMBL7442100 0.91 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1332259 0.91
SCHEMBL1331762 0.91
SCHEMBL15500 0.91

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 207 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12303574-B2 Dental composition Dentslpy Sirona Inc. (US) 2025-05-20 US claimed
CN-119709111-A Dealcoholized single-component transparent organic silicon sealant and preparation method thereof 广州白云科技股份有限公司 2025-03-28 CN claimed
CN-114449989-B Dental composition 登士柏希罗纳有限公司 2024-10-15 CN claimed
CN-114836164-B Silane modified bio-based polyurethane waterproof sealant and preparation method thereof 郑州华普密封材料有限公司 2024-02-23 CN claimed
CN-117396591-A Fragrance and evaluation method for improving happy state 奇华顿股份有限公司 2024-01-12 CN claimed
US-20230000727-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2023-01-05 US claimed
EP-4021373-A1 DENTAL COMPOSITION Dentsply Sirona Inc. (US) 2022-07-06 EP claimed
WO-2021037396-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2021-03-04 WO claimed
EP-3785692-A1 DENTAL COMPOSITION DENTSPLY SIRONA Inc. (US) 2021-03-03 EP claimed
CN-106866403-B A kind of preparation method of benzoic acid 中山大学惠州研究院 2019-09-20 CN claimed
CN-110240668-A The internal electron donor of Ziegler-Natta catalyst, catalytic component, preparation method and applications 天津科技大学 2019-09-17 CN claimed
CN-106866403-A A kind of preparation method of benzoic acid 中山大学惠州研究院 2017-06-20 CN claimed
CN-104824786-A Preservative for steamed twisted roll food YANTAI SHUNLONG CHEMICAL ENGINEERING TECHNOLOGY CO LTD 2015-08-12 CN claimed
CN-102713756-B Light-sensitive polymer composition, method for producing pattern, and electronic component HITACHI CHEMICAL DUPONT MICROSYSTEMS, LTD. (JP) 2014-10-15 CN claimed
CN-122018262-A Electrophotographic photoreceptor, process cartridge, and image forming apparatus 富士胶片商业创新有限公司 2026-05-12 CN disclosed
CN-122018265-A Electrophotographic photoreceptor, process cartridge, and image forming apparatus 富士胶片商业创新有限公司 2026-05-12 CN disclosed
CN-122018264-A Electrophotographic photoreceptor, process cartridge, and image forming apparatus 富士胶片商业创新有限公司 2026-05-12 CN disclosed
WO-1997041138-A2 ESCULETIN DERIVATIVES IDG (UK) LIMITED (GB) 1997-11-06 WO disclosed
US-5670301-A Photographic element containing a coupler capable of releasing a photographically useful group EASTMAN KODAK COMPANY (US) 1997-09-23 US disclosed
EP-0751426-A1 Photographic element containing a coupler capable of releasing a photographically useful group EASTMAN KODAK COMPANY (US) 1997-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230000727-A1 DENTAL COMPOSITION ERCC1, CROCC, CAD GAA 2477/4885MGAM 4071/4885SI 180/4885
US-12303574-B2 Dental composition ERCC1, INTS9, CLINT1 GAA 3065/4885MGAM 4140/4885SI 393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.