SCHEMBL7635441

SCHEMBL7635441

C=C(C)C(=O)OC(C)N.C=C(C)C(=O)OC(CC)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL137792 0.90 TSHR (0.39) TSHRTHRBALDH1A1
Iodide SCHEMBL1302850 0.88 TSHR (0.38) TSHRTHRBALDH1A1
Fluoride SCHEMBL1301660 0.88 TSHR (0.38) TSHRTHRBALDH1A1
Hydrochloric Acid SCHEMBL1302903 0.88 TSHR (0.38) TSHRTHRBALDH1A1
Bromide SCHEMBL1303250 0.88 TSHR (0.38) TSHRTHRBALDH1A1
Chloromethane SCHEMBL28424216 0.86 TSHR (0.37) TSHRTHRBALDH1A1
Acrylamide SCHEMBL8960992 0.83 TSHR (0.34) TSHRTHRBALDH1A1
Propane SCHEMBL29190806 0.82 TSHR (0.47) TSHRTHRBALDH1A1
Trimethylammonium SCHEMBL27518451 0.82 TSHR (0.42) TSHRTHRBALDH1A1
Butane SCHEMBL124309 0.81 TSHR (0.45) TSHRTHRBALDH1A1

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
US-6482875-B2 ORGANIC FIBROUS MATERIAL AND A BINDER CONTAINING AT LEAST TWO DIFFERENT POLYACRYLATES; COMPOSITE HAS A FLOW TRANSITION RANGE OF 70 DEGREES C. TO 130 DEGREES C. DORUS KLEBETECHNIK GMBH & CO. KG (DE) 2002-11-19 US disclosed
US-20020032253-A1 Organic fibrous material and a binder containing at least two different polyacrylates; composite has a flow transition range of 70 degrees C. to 130 degrees C. HENKEL DORUS GMBH & CO. KG (DE) 2002-03-14 US disclosed