SCHEMBL5418608

SCHEMBL5418608

C=C(OC(C)=O)C(=O)OCCCCCCCC

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
NAAA Q02083 2/20 0.53
ALDH1A1 P00352 2/20 0.48
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
CES2 O00748 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 6/20 0.41

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
SCHEMBL5421667 1.00 TSHR (0.68) TSHRNAAAALDH1A1RAD52NPSR1
SCHEMBL5411939 0.93 ALDH1A1 (0.57) TSHRNAAAALDH1A1RAD52NPSR1
SCHEMBL16708650 0.87 TSHR (0.65) TSHRNAAAALDH1A1RAD52NPSR1
SCHEMBL16710952 0.86 TSHR (0.49) TSHRNAAAALDH1A1RAD52NPSR1
SCHEMBL16708644 0.85 TSHR (0.61) TSHRNAAAALDH1A1RAD52NPSR1
SCHEMBL27413676 0.85 TSHR (0.71) TSHRNAAAALDH1A1RAD52NPSR1
SCHEMBL5027284 0.85 TSHR (0.46) TSHRNAAAALDH1A1HCAR2LMNA
SCHEMBL16710953 0.84 TSHR (0.46) TSHRNAAAALDH1A1HCAR2LMNA
SCHEMBL29217723 0.81 TSHR (0.67) TSHRNAAAALDH1A1RAD52NPSR1
SCHEMBL30884733 0.81 TSHR (0.67) TSHRNAAAALDH1A1RAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968975-B2 Toner for developing electrostatic image Konica Minolta, Inc. (JP) 2015-03-03 US disclosed
US-20140228533-A1 TONER FOR DEVELOPING ELECTROSTATIC IMAGE Konica Minolta, Inc. (JP) 2014-08-14 US disclosed
US-7230062-B2 Acrylic copolymer KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2007-06-12 US disclosed
US-20050182224-A1 Acrylic copolymer KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2005-08-18 US disclosed