SCHEMBL3720518

SCHEMBL3720518

CCC(C#CO)N(CC)CC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL5690215 0.74 FDPS (0.33) FDPS
SCHEMBL18191200 0.69 FDPS (0.33) FDPS
SCHEMBL2563954 0.69
SCHEMBL7675669 0.69 FDPS (0.33) FDPS
SCHEMBL28814076 0.60
SCHEMBL28249 0.58
SCHEMBL9806984 0.56
SCHEMBL2483605 0.56
SCHEMBL15192547 0.56 FDPS (0.32) FDPS
SCHEMBL27704143 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010119448-A1 AN 'IN-SITU' PREPARED, IMPROVED CATALYST FOR LOW PRESSURE CONTINUOUS BUTYNEDIOL SYNTHESIS HINDUSTAN ORGANIC CHEMICALS LIMITED (IN) 2010-10-21 WO disclosed
US-6350714-B1 ACTIVATION GROUP 1B OR 2B METAL OR COMPOUND BY REACTING WITH ALKYNE AND CARBONYL COMPOUND; ALKYNYLATION, AMINOALKYLATION, CATALYSIS BASF AKTIENGESELLSCHAFT (DE) 2002-02-26 US disclosed
US-4224251-A HYDROGENATION, ANHYDROUS CONDITIONS IN PRESENCE OF ALKALI OR ALKALINE EARTH COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 US disclosed