SCHEMBL8440904

SCHEMBL8440904

C=C(C)C(=O)OCCO.CCCOCCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.58
TSHR P16473 7/20 0.56
ALDH1A1 P00352 5/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.33
MGLL Q99685 1/20 0.32
EPHX2 P34913 1/20 0.30

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
SCHEMBL28655950 0.92 TSHR (0.60) THRBTSHRALDH1A1ACHEHTT
Di(Hydroxyethyl)Ether SCHEMBL9336534 0.90 THRB (0.59) THRBTSHRALDH1A1ACHEHTT
Butane SCHEMBL9100855 0.90 TSHR (0.62) THRBTSHRALDH1A1ACHEHTT
Propanol SCHEMBL28040663 0.90 TSHR (0.62) THRBTSHRALDH1A1ACHEHTT
Hydroxyl Radical SCHEMBL28109519 0.90 TSHR (0.61) THRBTSHRALDH1A1ACHEHTT
SCHEMBL4967751 0.89 TSHR (0.62) THRBTSHRALDH1A1ACHEHTT
SCHEMBL239023 0.88 THRB (0.74) THRBTSHRALDH1A1ACHEHTT
SCHEMBL15783289 0.88 THRB (0.74) THRBTSHRALDH1A1ACHEHTT
SCHEMBL9421556 0.88 THRB (0.74) THRBTSHRALDH1A1ACHEHTT
SCHEMBL10150607 0.88 THRB (0.74) THRBTSHRALDH1A1ACHEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5928823-A PROVIDING PEELABLE TRANSFER LAYER CONTAINING A THERMOPLASTIC RESIN ON SURFACE OF ELECTROPHOTOGRAPHIC LIGHT-SENSITIVE ELEMENT, FORMING NON-FIXING TONER IMAGE BY ELECTROPHOTOGRAPHY, TRANSFERRING IMAGE TO LITHOGRAPHIC PRINTING SUPPORT FUJI PHOTO FILM CO., LTD. (JP) 1999-07-27 US disclosed
US-5658701-A PROVIDING PEELABLE TRANSFER LAYER CONTAINING THERMOPLASTIC RESIN ON SURFACE OF ELECTROGRAPHIC LIGHT SENSITIVE ELEMENT, FORMING NON-FIXING TONER IMAGE, TRANSFERRING TO RECEPTOR, THEN TO SUPPORT, REMOVING NONTACKY RESIN LAYER FROM IMAGE FUJI PHOTO FILM CO., LTD. (JP) 1997-08-19 US disclosed