SCHEMBL10064060

SCHEMBL10064060

C=C(C)C(=O)OCC1OCCCO1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 4/20 0.46
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
NLRP3 Q96P20 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL10064072 0.92 ALDH1A1 (0.67) ALDH1A1TSHRTHRBPOLBCYP3A4
SCHEMBL27848264 0.81 ALDH1A1 (0.67) ALDH1A1LMNAPOLBCYP3A4TP53
SCHEMBL36133 0.81 ALDH1A1 (0.67) ALDH1A1LMNAPOLBCYP3A4TP53
SCHEMBL28309955 0.80 ALDH1A1 (0.65) ALDH1A1LMNAPOLBCYP3A4TP53
SCHEMBL4612527 0.80 ALDH1A1 (0.65) ALDH1A1LMNAPOLBCYP3A4TP53
SCHEMBL244871 0.78 ALDH1A1 (0.73) ALDH1A1TSHRTHRBLMNAPOLB
SCHEMBL28318815 0.78 ALDH1A1 (0.93) ALDH1A1TSHRTHRBCYP3A4TP53
SCHEMBL5281939 0.77 ALDH1A1 (0.53) ALDH1A1TSHRTHRBLMNAPOLB
Alcohol SCHEMBL9065899 0.77 ALDH1A1 (0.61) ALDH1A1LMNAPOLB
Methacrylic Acid SCHEMBL5309818 0.77 ALDH1A1 (0.61) ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623590-B2 Pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623590-B2 Pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-20120108043-A1 PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108043-A1 PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
EP-0309248-A2 Acrylated diols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-03-29 EP disclosed