Butanedione

Butanedione

SCHEMBL1424734

CC(=N/O)/C(C)=N\O.CC(=O)C(C)=O

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
BLM P54132 2/20 0.73
PMP22 Q01453 2/20 0.73
THRB P10828 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
THPO P40225 1/20 0.54
LMNA P02545 2/20 0.36
CA4 P22748 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32

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 SCHEMBL28483119 0.88 TSHR (0.67) TSHRNPSR1BLMPMP22THRB
SCHEMBL257234 0.85
Acetic Acid SCHEMBL9001173 0.85 NPSR1 (0.62) TSHRNPSR1BLMPMP22THRB
SCHEMBL282899 0.85
SCHEMBL7069443 0.85
SCHEMBL97806 0.83
SCHEMBL745256 0.83
SCHEMBL97805 0.83
SCHEMBL97807 0.83
Potassium SCHEMBL30816392 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4055505-A A HALO-TRIAZINE, ZEOLITE COLGATE-PALMOLIVE COMPANY (US) 1977-10-25 US claimed
EP-2296764-B1 FOAMING DECONTAMINATING AQUEOUS SOLUTION Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2016-08-10 EP disclosed
US-20110071334-A1 FOAMING DECONTAMINATING AQUEOUS SOLUTION COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-24 US disclosed
EP-2296764-A2 FOAMING DECONTAMINATING AQUEOUS SOLUTION Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2011-03-23 EP disclosed
WO-2009153495-A2 FOAMING DECONTAMINATING AQUEOUS SOLUTION COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-12-23 WO disclosed
US-4055505-A A HALO-TRIAZINE, ZEOLITE COLGATE-PALMOLIVE COMPANY (US) 1977-10-25 US disclosed