SCHEMBL7198622

SCHEMBL7198622

C=C(C)C(=O)OCCCCCCCC.C=C(C)C(=O)OCCO

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.86
THRB P10828 2/20 0.50
NAAA Q02083 1/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.44
ACHE P22303 7/20 0.44
CES2 O00748 1/20 0.43

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
SCHEMBL8007369 1.00 TSHR (0.86) TSHRTHRBNAAAHTTPOLB
SCHEMBL4053226 1.00 TSHR (0.86) TSHRTHRBNAAAHTTPOLB
SCHEMBL11402168 1.00 TSHR (0.86) TSHRTHRBNAAAHTTPOLB
Propanol SCHEMBL17472935 0.95 TSHR (0.89) TSHRTHRBNAAAHTTPOLB
Ethylene Glycol SCHEMBL10600183 0.95 TSHR (0.89) TSHRTHRBNAAAHTTPOLB
Ethylene Glycol SCHEMBL27514805 0.95 TSHR (0.89) TSHRTHRBNAAAHTTPOLB
Ethylene Glycol SCHEMBL20263739 0.95 TSHR (0.89) TSHRTHRBNAAAHTTPOLB
Hexane SCHEMBL1449723 0.94 TSHR (0.75) TSHRTHRBNAAAHTTPOLB
Di(Hydroxyethyl)Ether SCHEMBL27625390 0.93 TSHR (0.80) TSHRTHRBNAAAHTTPOLB
SCHEMBL6339685 0.93 TSHR (0.74) TSHRTHRBNAAAHTTPOLB

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-6596458-B1 Used in an ultramicrolithography process or another photofabrication process for the production of very large scale integrated circuits or high capacity microchips FUJI PHOTO FILM CO., LTD. (JP) 2003-07-22 US disclosed
EP-1091248-A1 Postive-working resist composition FUJI PHOTO FILM CO., LTD. (JP) 2001-04-11 EP disclosed
US-4128635-A Cosmetic emulsions containing copolymers of alkyl (meth) acrylates and mono- or polyhydroxyalkyl (meth) acrylates HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1978-12-05 US disclosed