Butane

Butane

SCHEMBL2302829

C=C(C)C(=O)OCCCO[PH](=O)O.CCCC

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
THRB P10828 1/20 0.47
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.32
NAAA Q02083 1/20 0.31
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14495474 0.95 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21402157 0.91 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31091786 0.90 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27462339 0.90 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Butane SCHEMBL17350368 0.90 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17407186 0.84 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2721270 0.84 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9475470 0.82 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20956850 0.82 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
Phosphonic Acid SCHEMBL491541 0.82 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT

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
US-8372516-B2 (Meth)acrylate phosphonic esters as adhesion promoters BASF SE (DE) 2013-02-12 US disclosed
EP-2350215-A2 (METH)ACRYLATE PHOSPHONIC ESTERS AS ADHESION PROMOTERS BASF SE (DE) 2011-08-03 EP disclosed
US-20100112362-A1 (METH)ACRYLATE PHOSPHONIC ESTERS AS ADHESION PROMOTERS CIBA CORPORATION (US) 2010-05-06 US disclosed
WO-2010049322-A2 (METH)ACRYLATE PHOSPHONIC ESTERS AS ADHESION PROMOTERS BASF SE (DE) 2010-05-06 WO disclosed