SCHEMBL5698745

SCHEMBL5698745

C=C(C)C(=O)OCC(C)C.C[SiH](C)O[SiH3]

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.75
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.38
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL24562 0.87 TSHR (1.00) TSHRALDH1A1THRBPOLBAPEX1
Hydroxyl Radical SCHEMBL28311885 0.85 TSHR (0.95) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL9082422 0.85 TSHR (0.95) TSHRALDH1A1THRBPOLBAPEX1
Ethylene SCHEMBL27833189 0.85 TSHR (0.95) TSHRALDH1A1THRBPOLBAPEX1
Methacrylic Acid SCHEMBL1472434 0.81 TSHR (0.88) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL8978071 0.81 TSHR (0.88) TSHRALDH1A1THRB
SCHEMBL10595722 0.81 TSHR (0.88) TSHRALDH1A1THRBPOLBAPEX1
Trimethylammonium SCHEMBL11665410 0.81 TSHR (0.88) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL230732 0.80 TSHR (0.66) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2528105 0.79 TSHR (0.70) TSHRALDH1A1THRBPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687067-A1 HAIR TREATMENT AGENT CONTAINING THICKENED WATER GLASS Wella AG (DE) 2006-08-09 EP disclosed
WO-2005048963-A1 HAIR TREATMENT AGENT CONTAINING THICKENED WATER GLASS WELLA AG (DE) 2005-06-02 WO disclosed
EP-1198217-A1 PERSONAL CARE COMPOSITIONS AND METHODS-HIGH INTERNAL PHASE WATER-IN-VOLATILE SILICONE OIL SYSTEMS UNILEVER PLC (GB) 2002-04-24 EP disclosed
WO-2001000141-A1 PERSONAL CARE COMPOSITIONS AND METHODS-HIGH INTERNAL PHASE WATER-IN-VOLATILE SILICONE OIL SYSTEMS UNILEVER PLC (GB) 2001-01-04 WO disclosed