SCHEMBL16639656

SCHEMBL16639656

C=Cc1ccc(C(=O)OCC(O)COC(=O)C(C)(C)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.52
▸ ADRB1 P08588 19/20 0.52
▸ ADRB3 P13945 19/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL2742156 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3
SCHEMBL11913580 0.85 TSHR (0.42) ADRB2ADRB1ADRB3TAS1R3TAS1R1
SCHEMBL13296228 0.84 ADRB2 (0.48) ADRB2ADRB1ADRB3
SCHEMBL13286864 0.84 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL16249358 0.82 CA1 (0.39) ADRB2ADRB1ADRB3TAS1R3TAS1R1
SCHEMBL6123984 0.82 ADRB2 (0.49) ADRB2ADRB1ADRB3
SCHEMBL18904537 0.80 CA12 (0.55) ADRB2ADRB1ADRB3
SCHEMBL13921988 0.79 CA12 (0.45) ADRB2ADRB1ADRB3
SCHEMBL15198870 0.78 ADRB2 (0.48) ADRB2ADRB1ADRB3TAS1R3TAS1R1
SCHEMBL2735486 0.78 ADRB2 (0.60) ADRB2ADRB1ADRB3

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-20150104746-A1 METHOD OF CONCENTRATING WASTE LIQUID PRODUCED BY DEVELOPMENT, AND METHOD OF RECYCLING WASTE LIQUID PRODUCED BY DEVELOPMENT FUJIFILM CORPORATION (JP) 2015-04-16 — — US disclosed
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