Allyl Butanoate

Allyl Butanoate

SCHEMBL8469685

C=CCOC(=O)CCC.OCCO

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MGLL Q99685 1/20 0.36
DGKA P23743 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
Allyl Butanoate SCHEMBL16372404 0.94 TSHR (0.71) TSHRALDH1A1TDP1SMN1; SMN2PKM
Allyl Butanoate SCHEMBL263508 0.94
Allyl Butanoate SCHEMBL28209182 0.92 TSHR (0.69) TSHRALDH1A1TDP1SMN1; SMN2PKM
Allyl Butanoate SCHEMBL28052527 0.88 TSHR (0.65) TSHRALDH1A1TDP1SMN1; SMN2PKM
Allyl Butanoate SCHEMBL4955044 0.88 TSHR (0.65) TSHRALDH1A1TDP1SMN1; SMN2PKM
Allyl Butanoate SCHEMBL28805970 0.86 TSHR (0.62) TSHRALDH1A1TDP1SMN1; SMN2PKM
SCHEMBL22436210 0.86 TSHR (0.62) TSHRALDH1A1TDP1SMN1; SMN2PKM
Allyl Butanoate SCHEMBL10336629 0.86 TSHR (0.62) TSHRALDH1A1TDP1SMN1; SMN2PKM
Allyl Butanoate SCHEMBL28165555 0.86 TSHR (0.62) TSHRALDH1A1TDP1SMN1; SMN2PKM
SCHEMBL30610378 0.83 TSHR (0.69) TSHRALDH1A1TDP1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858160-A Decorative surface coverings containing embossed-in-register inlaids CONGOLEUM CORPORATION (US) 1999-01-12 US disclosed
EP-0708801-A4 COATING AND WEARLAYER COMPOSITIONS FOR SURFACE COVERINGS CONGOLEUM CORP (US) 1997-07-02 EP disclosed
US-5627231-A PLASTICIZER, POLYMETHACRYLATE ESTER CONGOLEUM CORPORATION (US) 1997-05-06 US disclosed
EP-0625170-A4 DECORATIVE FLOOR COVERINGS HAVING THE APPEARANCE OF CERAMIC TILE AND COMPOSITIONS AND METHODS FOR MAKING SAME. CONGOLEUM CORP (US) 1996-06-05 EP disclosed
EP-0708801-A1 COATING AND WEARLAYER COMPOSITIONS FOR SURFACE COVERINGS CONGOLEUM CORPORATION (US) 1996-05-01 EP disclosed
WO-1994028067-A1 COATING AND WEARLAYER COMPOSITIONS FOR SURFACE COVERINGS CONGOLEUM CORPORATION (US) 1994-12-08 WO disclosed
EP-0625170-A1 DECORATIVE FLOOR COVERINGS HAVING THE APPEARANCE OF CERAMIC TILE AND COMPOSITIONS AND METHODS FOR MAKING SAME CONGOLEUM CORPORATION (US) 1994-11-23 EP disclosed
WO-1993015135-A2 DECORATIVE FLOOR COVERINGS HAVING THE APPEARANCE OF CERAMIC TILE AND COMPOSITIONS AND METHODS FOR MAKING SAME CONGOLEUM CORPORATION (US) 1993-08-05 WO disclosed