SCHEMBL8958353

SCHEMBL8958353

ClCCCOCCOCCCCl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.31
TP53 P04637 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
SCHEMBL1727003 1.00 TSHR (0.43) TSHRALDH1A1TDP1CA1CA2
SCHEMBL409599 0.96
SCHEMBL10962997 0.92 TSHR (0.43) TSHRALDH1A1TDP1CA1CA2
SCHEMBL11082402 0.89
SCHEMBL20579108 0.85 MEN1 (0.45) TSHRALDH1A1TDP1CA1CA2
SCHEMBL20578805 0.85 CA1 (0.32) TSHRALDH1A1TDP1CA1CA2
SCHEMBL19879952 0.85 CA1 (0.37) TSHRALDH1A1TDP1CA1CA2
SCHEMBL9817124 0.85 TSHR (0.34) TSHRALDH1A1TDP1CA1CA2
SCHEMBL9817087 0.85 TSHR (0.34) TSHRALDH1A1TDP1CA1CA2
SCHEMBL28726457 0.85 MEN1 (0.61) TSHRALDH1A1TDP1CA1CA2

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-5484457-A Continuous production of surface dyeings on cellulose fiber textile materials BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
US-5224963-A Improving perspiration fastness BASF AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
US-5015754-A Cationic polyethers for fixing reative and direct dyes used for dyeing and printing cellulose textiles; washfastness BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed