Sugi Predict

Sugi Predict / Compounds / SCHEMBL3638663

SCHEMBL3638663

SCHEMBL3638663

C=C(C)C(=O)OCCCCC(C)(COC)C(=O)O.C=C(C)C(=O)OCCCCOC(=O)C(C)COC

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ THRB P10828 1/20 0.33

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
SCHEMBL3642690 0.84 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2529508 0.83 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3685685 0.80 THRB (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3640638 0.79 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15064565 0.77 TSHR (0.55) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2524806 0.73 TSHR (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3683652 0.73 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL12793081 0.70 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10000877 0.70 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18492454 0.70 THRB (0.48) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162421-A1 METHOD FOR PRODUCING BUTANEDIOL DIMETHACRYLATES Evonik Röhm GmbH (DE) 2010-03-17 — — EP disclosed
WO-2009003743-A1 METHOD FOR PRODUCING BUTANEDIOL DIMETHACRYLATES EVONIK RÖHM GMBH (DE) 2009-01-08 — — WO disclosed