SCHEMBL9251563

SCHEMBL9251563

C=C(C)C(=O)OC.C=C(C)C(=O)OCC.C=C(C)C(=O)OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
THRB P10828 1/20 0.43
TSHR P16473 4/20 0.42
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAPT P10636 3/20 0.35
GLO1 Q04760 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6737151 0.93 ALDH1A1 (0.58) ALDH1A1THRBTSHRHTTMAPT
Ethyl Acetate SCHEMBL27877734 0.86 ALDH1A1 (0.50) ALDH1A1THRBTSHRGAAMGAM
SCHEMBL39564 0.86 ALDH1A1 (0.68) ALDH1A1THRBTSHRGAAMGAM
SCHEMBL36595 0.86 TSHR (0.48) ALDH1A1THRBTSHRHTTHSD17B10
SCHEMBL28031899 0.86 TSHR (0.48) ALDH1A1THRBTSHRHTTHSD17B10
Acrylic Acid SCHEMBL1475104 0.84 ALDH1A1 (0.47) ALDH1A1THRBTSHRHTTMAPT
Fluoride SCHEMBL28255897 0.84 TSHR (0.47) ALDH1A1THRBTSHRHTTHSD17B10
Acrylic Acid Ethyl Ester SCHEMBL3931520 0.83 THRB (0.40) ALDH1A1THRBTSHRHTTNPSR1
Acetic Acid SCHEMBL28980670 0.82 TSHR (0.45) ALDH1A1THRBTSHRHTTHSD17B10
Hydrochloric Acid SCHEMBL28230911 0.82 ALDH1A1 (0.62) ALDH1A1THRBTSHRGAAMGAM

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
EP-0363900-B1 Carriers for developing electrostatic images DAIKIN IND LTD (JP) 1995-01-11 EP disclosed
US-5223366-A Core having coating on it of specific addition polyners DAIKIN INDUSTRIES, LTD. (JP) 1993-06-29 US disclosed
US-5145761-A Specific fluoropolymer and vinyl ester copolymers; durability, adhesion, high strength; copiers DAIKIN INDUSTRIES, LTD. (JP) 1992-09-08 US disclosed
EP-0363900-A2 Carriers for developing electrostatic images DAIKIN INDUSTRIES, LIMITED (JP) 1990-04-18 EP disclosed