SCHEMBL8636772

SCHEMBL8636772

C=C(C)C(=O)OCCCC.C=C(CC=C(C)C(=O)O)C(=O)OCCO

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 3/20 0.34
ACHE P22303 1/20 0.33
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7253549 1.00 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10885382 0.96 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1179097 0.95 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11236476 0.95 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8425837 0.95 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8430254 0.95 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4606541 0.94 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3670738 0.91 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10482342 0.90 TSHR (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2223012 0.88 TSHR (0.48) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5851590-A Ink jet inks containing polyacrylamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-12-22 US disclosed
US-5712338-A AQUEOUS CARRIER, BLOCK POLYMER DISPERSANT, REDUCED CRACKING, STORAGE STABILITY, LESS BLEEDING IN MULTICOLOR APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-01-27 US disclosed
US-5529616-A FLUX OF POTASSIUM, SODIUM AND BARIUM CHLORIDES WITH ZINC CHLORIDE AND LITHIUM FLUORIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-06-25 US disclosed
US-5173112-A Nonplugging, improved storage stability E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-22 US disclosed
US-5169436-A Aqueous carrier medium, colorant and water soluble sulfoxide or sulfone; rapid drying, excellent image definition, storage stable, nonplugging E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-08 US disclosed