SCHEMBL30977787

SCHEMBL30977787

C=C(C)C(=O)OCCC1COC1CCC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.42
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL244869 0.90 ALDH1A1 (0.49) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL27886461 0.87 ALDH1A1 (0.49) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL28031570 0.80 ALDH1A1 (0.51) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL5858338 0.80 TSHR (0.51) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL27623296 0.79 ALDH1A1 (0.50) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL28218178 0.78 ALDH1A1 (0.54) ALDH1A1TSHRTHRB
SCHEMBL28031574 0.77 ALDH1A1 (0.51) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL28296157 0.76 ALDH1A1 (0.51) ALDH1A1TSHRPOLB
SCHEMBL352927 0.76 ALDH1A1 (0.68) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL20505422 0.76 ALDH1A1 (0.68) ALDH1A1TSHRTHRBPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118525246-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-08-20 CN disclosed
CN-113272729-B Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-08-20 CN disclosed
CN-113316742-B Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and novel monomer 日产化学株式会社 2024-08-16 CN disclosed