SCHEMBL28864745

SCHEMBL28864745

C=CC(=O)OC(CC)OP(=O)(O)OC.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
HPGD P15428 1/20 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
SCHEMBL28231247 0.98 TSHR (0.33) TSHRHPGD
SCHEMBL10623140 0.90 TSHR (0.36) TSHRHPGD
Ammonia Solution, Strong SCHEMBL28245778 0.89 TSHR (0.35) TSHRHPGD
SCHEMBL10321267 0.84 TSHR (0.34) TSHRHPGD
SCHEMBL2024149 0.83 SMPD1 (0.41) TSHRHPGD
SCHEMBL28190023 0.82 SMPD1 (0.46) TSHRHPGD
SCHEMBL27927720 0.82 TSHR (0.31) TSHR
SCHEMBL4931446 0.82 TSHR (0.37) TSHRHPGD
SCHEMBL28117268 0.81 SMPD1 (0.49) TSHRHPGD
SCHEMBL25273555 0.78 PKM (0.37)

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-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed