SCHEMBL7005303

SCHEMBL7005303

CCCCOC(O)OCOC(C)CC

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 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
SCHEMBL808427 0.81 TSHR (0.42) TDP1TSHR
SCHEMBL25970008 0.79
SCHEMBL2759867 0.79
SCHEMBL16079426 0.79
SCHEMBL11256054 0.77 ATM (0.31) TSHR
SCHEMBL7022237 0.76 TSHR (0.37) TDP1TSHR
Propylene Glycol SCHEMBL27888580 0.76 TDP1 (0.42) TDP1TSHR
Ethylene Glycol SCHEMBL8210958 0.75 TSHR (0.44) TSHR
SCHEMBL7712111 0.74 TSHR (0.37) TDP1TSHR
SCHEMBL16275184 0.74 DNM1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
EP-1311469-A1 METHOD FOR PRODUCING BETA- KETOENOL ESTERS BASF AKTIENGESELLSCHAFT (DE) 2003-05-21 EP disclosed
EP-1237879-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
WO-2002016305-A1 METHOD FOR PRODUCING β KETOENOL ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-02-28 WO disclosed
WO-2001044204-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed