SCHEMBL20726541

SCHEMBL20726541

C=C(C)C(=O)OCCCC[Si](C)(N)O[SiH](C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.34
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
SCHEMBL6894736 0.85 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5701640 0.81 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7586895 0.80 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL6652511 0.80 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL247231 0.78 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16070946 0.77 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21811060 0.77 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL13043000 0.76 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1
SCHEMBL13343088 0.76 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10934218 0.75 TSHR (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3173826-B1 HYDROGEL COMPOSITION AND HYDROGEL CONTACT LENSES MADE OF THE COMPOSITION PEGAVISION CORP (TW) 2019-02-13 EP disclosed