Acetoacetic Acid

Acetoacetic Acid

SCHEMBL7556350

CC(=O)CC(=O)O.CC(=O)CC(=O)O.OCc1ccccc1CO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP4F2 P78329 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.38
▸ BAZ2A Q9UIF9 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
Biphenyl SCHEMBL27519918 0.80 SMN1; SMN2 (0.52) HPGDL3MBTL1LMNAGAAALDH1A1
Biphenyl SCHEMBL8077261 0.80 SMN1; SMN2 (0.52) HPGDL3MBTL1LMNAGAAALDH1A1
Propionic Acid SCHEMBL28301195 0.80 CYP4F2 (0.52) HPGDL3MBTL1LMNAGAAALDH1A1
Acetoacetic Acid SCHEMBL28221327 0.79 KDM4E (0.50) LMNAGAAALDH1A1RECQLMAPT
Acetoacetic Acid SCHEMBL11499836 0.79 ALDH1A1 (0.44) HPGDL3MBTL1GAAALDH1A1RECQL
SCHEMBL80263 0.78 L3MBTL1 (0.50) HPGDL3MBTL1LMNAGAAALDH1A1
Acetoacetic Acid SCHEMBL28140837 0.78 NPC1 (0.50) HPGDLMNAALDH1A1RECQLMAPT
Acetoacetic Acid SCHEMBL9704495 0.78 NPC1 (0.50) HPGDLMNAALDH1A1RECQLMAPT
Acetoacetic Acid SCHEMBL28474931 0.77 CLCN2 (0.53) HPGDLMNAALDH1A1TDP1HSD17B10
Benzophenone SCHEMBL9860235 0.77 ALDH1A1 (0.61) HPGDL3MBTL1LMNAALDH1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944664-B1 ROOM TEMPERATURE CURABLE RESIN MINNESOTA MINING & MFG (US) 2002-03-20 — — EP disclosed
US-6204343-B1 CURABLE COMPOUND CONTAINING A MONOMER WITH ATLEAST TWO ALPHA-BETA UNSATURATED GROUPS AND A CATALYST CAPABLE OF INITIATING A MICHAEL REACTION, A MICHAEL DONOR AND A FILLER 3M INNOVATIVE PROPERTIES COMPANY 2001-03-20 — — US disclosed
EP-0944664-A1 ROOM TEMPERATURE CURABLE RESIN MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-09-29 — — EP disclosed
WO-1998025989-A1 ROOM TEMPERATURE CURABLE RESIN MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-06-18 — — WO disclosed
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