SCHEMBL16944261

SCHEMBL16944261

C=C(C)C(=O)OCOC(C)(C)CC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 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
SCHEMBL5005564 0.84 TSHR (0.48) THRBTSHRALDH1A1TDP1POLB
SCHEMBL13756152 0.83 THRB (0.56) THRBTSHRALDH1A1TDP1POLB
SCHEMBL11965872 0.79 ALDH1A1 (0.44) TSHRALDH1A1TDP1
SCHEMBL18533266 0.78 TSHR (0.44) THRBTSHRALDH1A1TDP1POLB
SCHEMBL13817472 0.77 TSHR (0.45) THRBTSHRALDH1A1
SCHEMBL148579 0.76 TSHR (0.58) THRBTSHRALDH1A1TDP1POLB
SCHEMBL26374658 0.76 THRB (0.43) THRBTSHRALDH1A1
SCHEMBL347723 0.75 ALDH1A1 (0.42) THRBTSHRALDH1A1TDP1
SCHEMBL12608525 0.75 TSHR (0.46) THRBTSHRALDH1A1
SCHEMBL13398472 0.74 THRB (0.42) THRBTSHRALDH1A1

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-9169412-B2 Curable composition and image forming method FUJIFILM CORPORATION (JP) 2015-10-27 US disclosed
US-20150210876-A1 CURABLE COMPOSITION AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2015-07-30 US disclosed