Butane

Butane

SCHEMBL2052354

CCCC.CCOC(=O)C(CC)P(=O)(O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
FDPS P14324 3/20 0.37
LAP3 P28838 1/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL829655 0.96 CYP2D6 (0.44) POLBCYP2D6CYP2C9CYP2C19ALDH1A1
Oxirane SCHEMBL4333005 0.86 TSHR (0.42) POLBCYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL3672437 0.83 POLB (0.56) POLBCYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL2991456 0.83 POLB (0.42) POLBCYP2D6CYP2C9CYP2C19ALDH1A1
Biphenyl SCHEMBL2047569 0.81 POLB (0.54) POLBALDH1A1TSHRLMNATDP1
SCHEMBL1932711 0.80 CYP2D6 (0.40) POLBCYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL7718923 0.80 FDPS (0.50) POLBCYP2D6CYP2C9CYP2C19FDPS
Butane SCHEMBL2044770 0.80 LPAR3 (0.47) TSHRFDPSLAP3
Butane SCHEMBL2047170 0.80 LPAR3 (0.47) TSHRFDPSLAP3
Butane SCHEMBL2047549 0.80 LPAR3 (0.47) TSHRFDPSLAP3

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
US-8748543-B2 Polylactic acid film TEIJIN LIMITED (JP) 2014-06-10 US disclosed
US-20110224342-A1 POLYLACTIC ACID FILM TEIJIN LIMITED (JP) 2011-09-15 US disclosed
EP-2330148-A1 POLYLACTIC ACID FILM Teijin Limited (JP) 2011-06-08 EP disclosed