SCHEMBL2593520

SCHEMBL2593520

OCCOCCOCCOCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
NAAA Q02083 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL607716 0.90 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL16437099 0.90 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL12865302 0.90 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
Triethylene Glycol SCHEMBL1674853 0.90 TSHR (0.65) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL607698 0.90 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL24748 0.90 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL599527 0.90 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
Tetraethylene Glycol SCHEMBL9505423 0.90 TSHR (0.65) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL606328 0.90 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL16437096 0.90 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1

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
EP-3704177-A1 RADIOPAQUE THERMOPLASTIC POLYMER The Texas A&M University System (US) 2020-09-09 EP claimed
EP-2566924-A2 POST POLYMERIZATION CURE SHAPE MEMORY POLYMERS Lawrence Livermore National Security, LLC (US) 2013-03-13 EP disclosed
WO-2011140246-A2 POST POLYMERIZATION CURE SHAPE MEMORY POLYMERS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2011-11-10 WO disclosed