SCHEMBL513379

SCHEMBL513379

C=C(C)C(=O)OCCO.O=C(O)C1CCCCC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PEPD P12955 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL73761 0.85 THRB (0.46) THRBTSHRALDH1A1HTTPOLB
SCHEMBL513380 0.85 THRB (0.46) THRBTSHRALDH1A1HTTPOLB
SCHEMBL14473517 0.85 THRB (0.46) THRBTSHRALDH1A1HTTPOLB
SCHEMBL194104 0.83 TSHR (0.50) THRBTSHRALDH1A1HTTPOLB
SCHEMBL195287 0.83 TSHR (0.46) THRBTSHRALDH1A1HTTPOLB
SCHEMBL28861177 0.82 ALDH1A1 (0.44) THRBTSHRALDH1A1HTTPOLB
SCHEMBL75023 0.82 THRB (0.46) THRBTSHRALDH1A1HTTPOLB
Acetic Acid SCHEMBL2590428 0.82 THRB (0.55) THRBTSHRALDH1A1HTTPOLB
SCHEMBL14886 0.82
SCHEMBL29229747 0.82 THRB (0.59) THRBTSHRALDH1A1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8593633-B2 Cure degree evaluation method, cure degree evaluation sheet, and cure degree evaluation system for evaluating cure degree of active energy ray-curable resin composition OMRON CORPORATION (JP) 2013-11-26 US disclosed
US-20120026501-A1 CURE DEGREE EVALUATION METHOD, CURE DEGREE EVALUATION SHEET, AND CURE DEGREE EVALUATION SYSTEM FOR EVALUATING CURE DEGREE OF ACTIVE ENERGY RAY-CURABLE RESIN COMPOSITION OMRON CORPORATION (JP) 2012-02-02 US disclosed