Acetoacetic Acid

Acetoacetic Acid

SCHEMBL1401142

CC(=O)CC(=O)O.CC(=O)CC(=O)O.OCc1cccc(CO)c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ ACMSD Q8TDX5 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ NOS2 P35228 1/20 0.38
▸ DAO P14920 1/20 0.38

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
Propionic Acid SCHEMBL5936395 0.82 TSHR (0.48) TSHRFFAR1ACMSDPDK1PDK2
SCHEMBL13554933 0.80 ENPP2 (0.44) TSHRACMSDALDH1A1PDK1PDK2
Malonic Acid SCHEMBL27771971 0.79 NPC1 (0.50) FFAR1ALDH1A1SMN1; SMN2
Benzylamine SCHEMBL28177368 0.78 CYP2D6 (0.56) TSHRALDH1A1SMN1; SMN2SLC7A5AKR1B1
SCHEMBL1401775 0.78 AKR1B1 (0.60) TSHRFFAR1ACMSDALDH1A1ENPP2
SCHEMBL19501287 0.77 ALDH1A1 (0.62) FFAR1ACMSDALDH1A1PDK1PDK2
Acetoacetic Acid SCHEMBL7556350 0.76 HPGD (0.44) FFAR1ALDH1A1MTNR1BAKR1B1
Acetoacetic Acid SCHEMBL28221327 0.76 KDM4E (0.50) ALDH1A1MTNR1B
SCHEMBL123838 0.76 TSHR (0.61) TSHRACMSDENPP2PRSS1PRSS2
SCHEMBL29675845 0.76 NPSR1 (0.50) ALDH1A1MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609131-B2 Absorbent dressing comprising hydrophilic polymer prepared via Michael reaction 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-12-17 — — US disclosed
EP-1855730-B1 ABSORBENT DRESSING COMPRISING HYDROPHILIC POLYMER 3M INNOVATIVE PROPERTIES CO (US) 2013-12-11 — — EP disclosed
US-7932325-B2 Azlactone telechelic polymer 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-04-26 — — US disclosed
EP-1819737-B1 PHOTOCURABLE MICHAEL ADDITION POLYMERS 3M INNOVATIVE PROPERTIES CO (US) 2011-03-30 — — EP disclosed
EP-1805237-B1 AZLACTONE TELECHELIC POLYMER 3M INNOVATIVE PROPERTIES CO (US) 2011-03-02 — — EP disclosed
EP-1841807-B1 CROSSLINKABLE HYDROPHILIC MATERIALS FROM POLYMERS HAVING PENDENT MICHAEL DONOR GROUPS 3M INNOVATIVE PROPERTIES CO (US) 2010-04-07 — — EP disclosed
US-20100076169-A1 AZLACTONE TELECHELIC POLYMER 3M INNOVATIVE PROPERTIES COMPANY 2010-03-25 — — US disclosed
US-7649054-B2 Protective coating; curable; Michael donor, a polyacryl component, and ethylenically unsaturated monomer having a reactive azlactone functional group 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-01-19 — — US disclosed
US-7642321-B2 Ring-opened azlactone telechelic polymer 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-01-05 — — US disclosed
US-7473719-B2 Crosslinkable hydrophilic materials from polymers having pendent Michael donor groups 3M INNOVATIVE PROPERTIES (US) 2009-01-06 — — US disclosed
WO-2006081079-A1 CROSSLINKABLE HYDROPHILIC MATERIALS FROM POLYMERS HAVING PENDENT MICHAEL DONOR GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-03 — — WO disclosed
WO-2006081090-A2 ABSORBENT DRESSING COMPRISING HYDROPHILIC POLYMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-03 — — WO disclosed
US-20060167180-A1 Crosslinkable hydrophilic materials from polymers having pendent Michael donor groups 3M INNOVATIVE PROPERTIES COMPANY 2006-07-27 — — US disclosed
US-20060165762-A1 Absorbent dressing comprising hydrophilic polymer 3M INNOVATIVE PROPERTIES COMPANY 2006-07-27 — — US disclosed
WO-2006065369-A2 PHOTOCURABLE MICHAEL ADDITION POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 — — WO disclosed
US-20060128825-A1 Photocurable michael addition polymers 3M INNOVATIVE PROPERTIES COMPANY 2006-06-15 — — US disclosed
WO-2006039064-A1 AZLACTONE TELECHELIC POLYMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-13 — — WO disclosed
WO-2006039141-A1 RING-OPENED AZLACTONE TELECHELIC POLYMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-13 — — WO disclosed
US-20060074196-A1 Azlactone telechelic polymer 3M INNOVATIVE PROPERTIES COMPANY 2006-04-06 — — US disclosed
US-20060074211-A1 Coated on a substrate and at least partially polymerized to form a protective coating.; composite article; using a mono-ethylenically unsaturated monomer to regulate and control the molecular weight of the resulting polymers 3M INNOVATIVE PROPERTIES COMPANY 2006-04-06 — — US disclosed
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