SCHEMBL16407302

SCHEMBL16407302

C=C(C)C(=O)OCC(O)CN(CC)CCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.35
ABCB11 O95342 1/20 0.34
KCNH2 Q12809 1/20 0.34
ABCB1 P08183 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HSF1 Q00613 1/20 0.33
POLB P06746 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
SCHEMBL8764057 0.94 TSHR (0.50) TSHRLMNATHRBALDH1A1POLB
SCHEMBL4993413 0.94 TSHR (0.50) TSHRLMNATHRBALDH1A1ABCB1
SCHEMBL1254411 0.92 TSHR (0.52) TSHRLMNATHRBALDH1A1ABCB1
Hydrochloric Acid SCHEMBL1255408 0.90 TSHR (0.50) TSHRLMNATHRBALDH1A1ABCB1
Iodide SCHEMBL1254896 0.90 TSHR (0.50) TSHRLMNATHRBALDH1A1ABCB1
Bromide SCHEMBL1252822 0.90 TSHR (0.50) TSHRLMNATHRBALDH1A1ABCB1
Fluoride SCHEMBL1255369 0.90 TSHR (0.50) TSHRLMNATHRBALDH1A1ABCB1
SCHEMBL9498035 0.87 TSHR (0.53) TSHRLMNATHRBALDH1A1
SCHEMBL29009582 0.87 TSHR (0.57) TSHRLMNATHRBALDH1A1ABCB1
SCHEMBL16407307 0.86 LMNA (0.37) TSHRLMNAALDH1A1ABCB11KCNH2

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-9175186-B2 Coating compositions having chelant functionality ROHM AND HAAS COMPANY 2015-11-03 US disclosed
US-20150051336-A1 COATING COMPOSITIONS HAVING CHELANT FUNCTIONALITY ROHM AND HAAS COMPANY 2015-02-19 US disclosed
US-20150025177-A1 COATING COMPOSITIONS HAVING CHELANT FUNCTIONALITY ROHM AND HAAS COMPANY 2015-01-22 US disclosed