SCHEMBL17488420

SCHEMBL17488420

CC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL15960972 0.92 MGAM (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL17488421 0.82 TSHR (0.31)
SCHEMBL4263080 0.79 MMP1 (0.34) MMP1MMP2MMP3MMP9MMP13
SCHEMBL13556925 0.79 MMP1 (0.34) MMP1MMP2MMP3MMP9MMP13
SCHEMBL13843609 0.79 MMP1 (0.34) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10625488 0.78 MGAM (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10341283 0.78 MGAM (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10341282 0.78 MGAM (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL15066277 0.78 EGLN1 (0.38)
SCHEMBL20511506 0.76 TSHR (0.46) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9623696-B2 Composition for developing a visually discernible colour and corresponding heat-sensitive recording material MITSUBISHI HITEC PAPER EUROPE GMBH (DE) 2017-04-18 US disclosed
US-20160031254-A1 Composition For Developing A Visually Discernible Colour And Corresponding Heat-Sensitive Recording Material MITSUBISHI HITEC PAPER EUROPE GMBH (DE) 2016-02-04 US disclosed