SCHEMBL6706841

SCHEMBL6706841

CC(CCO)CC(O)C(O)C(C)CO

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6882428 0.84 LMNA (0.43) TRPA1TSHRTHRBALDH1A1ALOX15
SCHEMBL6065451 0.81 THRB (0.39) TSHRTHRBTDP1LMNAL3MBTL1
SCHEMBL1904032 0.81 TRPA1 (0.45) TRPA1TSHRTHRBALDH1A1ALOX15
SCHEMBL6839625 0.78 TSHR (0.41) TRPA1TSHRALDH1A1ALOX15LMNA
SCHEMBL7052851 0.77 THRB (0.37) TRPA1TSHRTHRBALDH1A1ALOX15
SCHEMBL1789453 0.77 TDP1 (0.45) TSHRALDH1A1TDP1LMNAL3MBTL1
SCHEMBL8145533 0.76 TRPA1 (0.38) TRPA1TSHRALDH1A1ALOX15LMNA
SCHEMBL5702392 0.75 LMNA (0.50) TSHRALDH1A1TDP1LMNAL3MBTL1
SCHEMBL19327340 0.74 TSHR (0.46) TRPA1TSHRTHRBALDH1A1ALOX15
SCHEMBL13638247 0.73 LMNA (0.59) TRPA1TSHRALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017060-B2 PROCESS FOR PREPARING POLYURETHANE ELASTOMERS BASF Aktiengesellschaft (DE) 1991-10-30 EP claimed
EP-3436541-A1 TWO-COMPONENT SOLVENTLESS ADHESIVE COMPOSITIONS AND METHODS OF MAKING SAME Dow Global Technologies, LLC (US) 2019-02-06 EP disclosed
WO-2017166003-A1 TWO-COMPONENT SOLVENTLESS ADHESIVE COMPOSITIONS AND METHODS OF MAKING SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2017-10-05 WO disclosed
US-20040171768-A1 Polyester diol, polyurethane obtained therefrom and spandex filament thereof and a novel dialkylamino group-contained acrylic-based copolymer, polyurethane composition and spandex composition MIHO TAKUYA (JP) 2004-09-02 US disclosed