SCHEMBL18828895

SCHEMBL18828895

C=CC(=O)OCCOC(=O)CCCCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 1/20 0.57
TP53 P04637 2/20 0.52
HIF1A Q16665 2/20 0.52
HSD17B10 Q99714 1/20 0.52
DGKA P23743 1/20 0.48
THRB P10828 2/20 0.47
HPGD P15428 1/20 0.47
ABCC4 O15439 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
PAM P19021 2/20 0.41
NPC1 O15118 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL19934876 1.00 TSHR (0.57) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL18828892 1.00 TSHR (0.57) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL18828976 1.00 TSHR (0.57) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL156307 0.98 TSHR (0.53) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12251535 0.95 TSHR (0.61) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL15828343 0.95 TSHR (0.66) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL19934811 0.95 TSHR (0.66) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL10033426 0.95 TSHR (0.66) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL17280885 0.95 TSHR (0.66) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL19934818 0.95 TSHR (0.66) TSHRALDH1A1CYP3A4TP53HIF1A

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-20170145216-A1 RHODAMINE-BASED COLORING COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-25 US disclosed
US-20170145216-A1 RHODAMINE-BASED COLORING COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-25 US disclosed
US-20170137553-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-18 US disclosed
US-20170137553-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-18 US disclosed
EP-3165541-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER Wako Pure Chemical Industries, Ltd. (JP) 2017-05-10 EP disclosed