SCHEMBL6658271

SCHEMBL6658271

CCCCO/C=C/CCOCCCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL6658273 1.00 TSHR (0.43) TSHRCYP3A4MEN1THRBHTT
SCHEMBL19225073 0.88 TSHR (0.57) TSHRCYP3A4MEN1THRBHTT
SCHEMBL9162282 0.84 TSHR (0.44) TSHRCYP3A4MEN1THRBHTT
SCHEMBL28146382 0.84 ADRB2 (0.36) TSHRCYP3A4HPGDADRB2ADRB1
SCHEMBL27677868 0.84 LPAR3 (0.38) TSHRADRB2ADRB1ADRB3
SCHEMBL16863887 0.84 LPAR3 (0.38) TSHRADRB2ADRB1ADRB3
SCHEMBL6897713 0.82 HSD17B10 (0.30)
SCHEMBL1142314 0.80 FAAH (0.46) TSHRMAPT
SCHEMBL22125312 0.80 FAAH (0.46) TSHRMAPT
SCHEMBL22125311 0.80 FAAH (0.46) TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906299-B1 PROCESS FOR PREPARING TETRAHYDROFURAN FROM DIALKOXYBUTENES BASF AG (DE) 2004-08-04 EP claimed
EP-0906299-A1 PROCESS FOR PREPARING TETRAHYDROFURAN FROM DIALKOXYBUTENES BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP claimed
WO-1997046546-A1 PROCESS FOR PREPARING TETRAHYDROFURAN FROM DIALKOXYBUTENES BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 WO claimed
EP-0906299-B1 PROCESS FOR PREPARING TETRAHYDROFURAN FROM DIALKOXYBUTENES BASF AG (DE) 2004-08-04 EP disclosed
US-6245948-B1 REACTING 2-BUTENOL ETHERS IN PRESENCE OF METATHESIS CATALYST TO GIVE BUTENE AND CORRESPONDING 1,4-BUTENEDIOL DIETHERS BASF AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
US-6169189-B1 REACTING DIALKOXYBUTENES WITH WATER AND HYDROGEN IN PRESENCE OF CATALYSTS OR CATALYST COMBINATIONS WHICH ARE BOTH CAPABLE OF HYDROGENATION AND HAVE ACIDIC OR BASIC CENTERS BASF AKTIENGESELLSCHAFT (DE) 2001-01-02 US disclosed
US-6103939-A Process for the preparation of 1,4-butanediol monoethers BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed
EP-0906299-A1 PROCESS FOR PREPARING TETRAHYDROFURAN FROM DIALKOXYBUTENES BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
WO-1997046546-A1 PROCESS FOR PREPARING TETRAHYDROFURAN FROM DIALKOXYBUTENES BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed