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SCHEMBL28245779

SCHEMBL28245779

C=C(C)C(=O)OCCCOP(=O)(O)OCCCOC(=O)C(=C)C.[MgH2]

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ THRB P10828 1/20 0.46
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ BTN3A1 O00481 1/20 0.40
▸ P2RY10 O00398 8/20 0.38
▸ GPR34 Q9UPC5 3/20 0.38

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
SCHEMBL15412 0.98 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL18140963 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL345781 0.95 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15881 0.93 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15172 0.93 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3447377 0.93 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL346466 0.93 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3447994 0.93 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16142 0.93 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7073886 0.93 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT

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