SCHEMBL13625709

SCHEMBL13625709

C=C(C)C(=O)OCCCS(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
THRB P10828 1/20 0.48
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.38
GABRR1 P24046 1/20 0.35

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
SCHEMBL8975562 0.90 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21117522 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5144090 0.81 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL182045 0.81 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25426 0.81 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8169842 0.79 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554400 0.79 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554427 0.79 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554413 0.79 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554423 0.79 TSHR (0.83) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008096-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed
WO-2013109250-A1 INKS INCLUDING GRAFT COPOLYMER SURFACE-MODIFIED PIGMENTS VIA AZIDE CHEMISTRY HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-07-25 WO disclosed
WO-2009133264-A2 MODIFICATION OF THE SURFACE CHEMISTRY OF MACROMOLECULAR SPECIES IN THE PRESENCE OF A CONJUGATED GUANIDINE POLYRISE (FR) 2009-11-05 WO disclosed