Acetone

Acetone

SCHEMBL7399782

C1CCCSCC1.CC(C)=O.CC(C)=O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40

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 SCHEMBL28864865 1.00 LMNA (0.40) LMNA
Acetone SCHEMBL7399779 1.00 LMNA (0.40) LMNA
Tetrahydrothiophene SCHEMBL9620648 0.97
Acetic Acid SCHEMBL28746199 0.90 FFAR3 (0.44)
Acetic Acid SCHEMBL8037750 0.90 FFAR3 (0.44)
Tetrahydrothiophene SCHEMBL9158780 0.87
Hydrogen Sulfide SCHEMBL28225699 0.81 ALDH1A1 (0.30)
Methacrylic Acid SCHEMBL16146329 0.81 TDP1 (0.33)
Oxalic Acid SCHEMBL8461222 0.80
Propionic Acid SCHEMBL27494376 0.79 FFAR3 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6034118-A ENZYME INHIBITOR GILEAD SCIENCES, INC. (US) 2000-03-07 US disclosed
US-5811450-A DIAGNOSIS, TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 1998-09-22 US disclosed
US-5705524-A ENZYME INHIBITORS; VIRICIDES GILEAD SCIENCES, INC. (US) 1998-01-06 US disclosed
EP-0789695-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1997-08-20 EP disclosed
WO-1996014314-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1996-05-17 WO disclosed