Acetone

Acetone

SCHEMBL7134016

CC(C)=O.CC(C)=O.NC(=O)C(Cl)Cl.OCC(O)CNCCNCC(O)CO

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.31

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
Acetone SCHEMBL9097790 0.92 ANPEP (0.35)
Acetone SCHEMBL7127314 0.87 LMNA (0.36) UPP1
Acetone SCHEMBL7127311 0.87 LMNA (0.36) UPP1
Acetone SCHEMBL9233022 0.79 ANPEP (0.41) UPP1
SCHEMBL14663224 0.73 LMNA (0.44) UPP1
Acetic Acid SCHEMBL8948421 0.72 LMNA (0.38) UPP1
SCHEMBL18030759 0.70 KDM4E (0.38) UPP1
SCHEMBL21691058 0.70 ALDH1A1 (0.36) UPP1
SCHEMBL10470999 0.69 ADRB2 (0.48)
SCHEMBL24017881 0.69 GAA (0.38) UPP1

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-0722442-B1 POLYAZACYCLOALKANES AS DICHELANTS NYCOMED SALUTAR INC (US) 2003-01-15 EP disclosed
US-5972307-A ADMINISTERING TO HUMAN OR ANIMAL BODY AN EFFECTIVE AMOUNT OF A DIAGNOSTIC AGENT COMPRISES A METAL CHELATE OF A COMPOUND HAVING TWO MACROCYCLIC CHELANT GROUPS LINKED BY A BRIDGE CONTAINING ESTER OR AMIDE BOND NYCOMED SALUTAR, INC. (US) 1999-10-26 US disclosed
US-5650133-A CHELATING AGENTS USEFUL IN DIAGNOSTIC AND THERAPEUTIC COMPOSITIONS NYCOMED SALUTAR (US) 1997-07-22 US disclosed
WO-1995009848-A2 POLYAZACYCLOALKANES AS DICHELANTS NYCOMED SALUTAR, INC. (US) 1995-04-13 WO disclosed