SCHEMBL28515565

SCHEMBL28515565

CC(=O)C(OC(C)C)(C(C)=O)C(=O)[O-].CC(=O)C(OC(C)C)(C(C)=O)C(=O)[O-].CC(=O)C(OC(C)C)(C(C)=O)C(=O)[O-].[Al+3]

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CA1 P00915 2/20 0.32

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
SCHEMBL27351649 0.82 TSHR (0.39) TSHRCA1
SCHEMBL28200908 0.82 TSHR (0.39) TSHRCA1
SCHEMBL2352551 0.79 TSHR (0.33) TSHRCA1
SCHEMBL29170924 0.77
SCHEMBL28515563 0.76 TSHR (0.35) TSHR
SCHEMBL4478417 0.74 TSHR (0.33) TSHRCA1
SCHEMBL27465216 0.74 TSHR (0.33) TSHR
SCHEMBL8520582 0.74 TSHR (0.33) TSHRCA1
SCHEMBL28774686 0.74 TSHR (0.44) TSHR
SCHEMBL29283320 0.73 TSHR (0.31) TSHR

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
CN-112189153-A Near-infrared-absorbing composition, near-infrared-absorbing film, and image sensor for solid-state imaging element 柯尼卡美能达株式会社 2021-01-05 CN disclosed