Acetoacetic Acid

Acetoacetic Acid

SCHEMBL28137247

CC(=O)CC(=O)O.CC[Al](CC)CC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SLC15A2 Q16348 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KDM5C P41229 2/20 0.42
EGLN1 Q9GZT9 2/20 0.42
PHF8 Q9UPP1 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
KDM6B O15054 1/20 0.42
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
FFAR3 O14843 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
Water SCHEMBL28556088 0.83 ALDH1A1 (0.42) LMNASLC15A2KDM4EKDM5CEGLN1
Acetoacetic Acid SCHEMBL3094644 0.83 KDM4E (0.50) LMNASLC15A2KDM4EKDM5CEGLN1
Acetoacetic Acid SCHEMBL28972036 0.83 LDHA (0.57) LMNASLC15A2KDM4EKDM5CEGLN1
Acetoacetic Acid SCHEMBL21402364 0.83
Acetoacetic Acid SCHEMBL1144213 0.83 LDHA (0.57) LMNASLC15A2KDM4EKDM5CEGLN1
Acetoacetic Acid SCHEMBL1406366 0.83 LDHA (0.57) LMNASLC15A2KDM4EKDM5CEGLN1
Acetoacetic Acid SCHEMBL31420005 0.83
Acetoacetic Acid SCHEMBL10941648 0.83 LDHA (0.57) LMNASLC15A2KDM4EKDM5CEGLN1
Acetoacetic Acid SCHEMBL649090 0.83 LDHA (0.57) LMNASLC15A2KDM4EKDM5CEGLN1
Acetoacetic Acid SCHEMBL653110 0.83 LDHA (0.57) LMNASLC15A2KDM4EKDM5CEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112400002-B Adhesive composition and adhesive tape 综研化学株式会社 2022-10-11 CN disclosed
CN-112313274-B Crosslinkable nitrile rubber composition and crosslinked rubber 日本瑞翁株式会社 2022-08-12 CN disclosed
CN-110832025-B Rubber composition and tire 大塚化学株式会社 2022-04-15 CN disclosed
CN-113226385-A Radiation-resistant sterilization adhesive 3M创新有限公司 2021-08-06 CN disclosed
CN-112400002-A Adhesive composition and adhesive tape 综研化学株式会社 2021-02-23 CN disclosed
CN-112313274-A Crosslinkable nitrile rubber composition and crosslinked rubber 日本瑞翁株式会社 2021-02-02 CN disclosed
CN-112286018-A Toner and image forming apparatus 佳能株式会社 2021-01-29 CN disclosed
CN-110832679-A Electrode mixture for nonaqueous electrolyte secondary battery 住友精化株式会社 2020-02-21 CN disclosed
CN-110832025-A Rubber composition and tire 大塚化学株式会社 2020-02-21 CN disclosed
CN-110800141-A Electrode mixture for nonaqueous electrolyte secondary battery 住友精化株式会社 2020-02-14 CN disclosed
CN-106536192-B Gas barrier film and electronic device 柯尼卡美能达株式会社 2019-01-08 CN disclosed
CN-106536192-A Gas barrier film and electronic device 柯尼卡美能达株式会社 2017-03-22 CN disclosed