SCHEMBL1017353

SCHEMBL1017353

C=C(C)C(=O)OC(CC)[SiH2]OCCCC

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.32
ATM Q13315 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
SCHEMBL6928059 0.82 TSHR (0.40) TSHRALDH1A1THRB
Hydrogen Sulfide SCHEMBL23421906 0.82 THRB (0.37) TSHRALDH1A1THRB
SCHEMBL140537 0.79 TSHR (0.41) TSHRALDH1A1THRBHPGD
SCHEMBL22371482 0.79 TSHR (0.41) TSHRALDH1A1THRBHPGD
SCHEMBL1014718 0.78 ALDH1A1 (0.40) TSHRALDH1A1THRB
Hydrogen Sulfide SCHEMBL21253275 0.77 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL9860071 0.77 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL28352185 0.77 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL28209430 0.76 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL28618190 0.76 TSHR (0.39) TSHRALDH1A1THRB

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-2271705-A1 MODIFIED HALOGENATED POLYMER SURFACES BASF SE (DE) 2011-01-12 EP disclosed
WO-2009130233-A1 MODIFIED HALOGENATED POLYMER SURFACES BASF SE (DE) 2009-10-29 WO disclosed