SCHEMBL3731202

SCHEMBL3731202

CCCCOC(CC(=O)O)C(=O)O.OCCCCOCCCCOCCCCO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ACHE P22303 6/20 0.36
RARB P10826 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
CES2 O00748 1/20 0.35
GAA P10253 1/20 0.35
GPR84 Q9NQS5 3/20 0.34

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
SCHEMBL3729354 1.00 TSHR (0.44) TSHRMEN1THRBHTTKMT2A
1,4-Butanediol SCHEMBL3731759 0.95 TSHR (0.39) TSHRMEN1KMT2AACHEMMP9
Di(Hydroxyethyl)Ether SCHEMBL3742578 0.92 TSHR (0.55) TSHRMEN1THRBHTTKMT2A
Triethylene Glycol SCHEMBL3736941 0.91 TSHR (0.53) TSHRMEN1THRBHTTKMT2A
Tetraethylene Glycol SCHEMBL3746402 0.91 TSHR (0.53) TSHRMEN1THRBHTTKMT2A
Ethylene Glycol SCHEMBL3732513 0.90 TSHR (0.41) TSHRMMP9MMP8MMP13GPR84
SCHEMBL11764465 0.88 GPR84 (0.41) TSHRMMP9MMP8MMP13GPR84
1,4-Butanediol SCHEMBL3742477 0.87 GPR84 (0.34) TSHRACHEGPR84
SCHEMBL14252257 0.87 TSHR (0.41) TSHRMEN1THRBHTTKMT2A
SCHEMBL18141616 0.87 GPR84 (0.44) TSHRMEN1KMT2AMMP9MMP8

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-7825178-B2 Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-02 US disclosed
US-20070289481-A1 Leveling Agent for Floor Polish and Aqueous Floor Polish Composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-20 US disclosed