SCHEMBL11378652

SCHEMBL11378652

C=C(C)C(=O)OC(C)OC(CC)OC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.33

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
SCHEMBL11358496 0.85 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL554126 0.83 ALDH1A1 (0.44) TSHRALDH1A1THRB
SCHEMBL11362523 0.82 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL269141 0.81 ALDH1A1 (0.46) TSHRALDH1A1THRB
SCHEMBL1902556 0.80 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL4096632 0.79 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL19583230 0.78 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL28528795 0.77 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL11361120 0.77 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL601418 0.77 TSHR (0.45) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4287177-A CONTAINING A POLYETHYLENE GLYCOL AND AN ACRYLIC POLYMER WHICH FORM A FILM WHEN COMBINED KURARAY CO., LTD. (JP) 1981-09-01 US disclosed