SCHEMBL11225874

SCHEMBL11225874

C=C(C)C(=O)OCC(CCO)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 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
SCHEMBL13779875 0.87 TSHR (0.61) TSHRTHRBALDH1A1
SCHEMBL2161342 0.86 TSHR (0.52) TSHRTHRBALDH1A1CHRNB2CHRNB4
SCHEMBL30377073 0.83 TSHR (0.49) TSHRTHRBALDH1A1
SCHEMBL11302844 0.82 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL2237706 0.81 TSHR (0.54) TSHRTHRB
SCHEMBL1615291 0.81 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL8382313 0.79 TSHR (0.61) TSHRTHRBALDH1A1
SCHEMBL30638564 0.79 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL1615677 0.79 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL6688365 0.78 TSHR (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4314044-A Process for preparing low molecular weight water-soluble polymers ROHM AND HAAS COMPANY (US) 1982-02-02 US claimed
EP-0014083-A1 Low molecular weight watersoluble polymers, their preparation and their use in scale inhibition ROHM AND HAAS COMPANY (US) 1980-08-06 EP claimed
US-4314044-A Process for preparing low molecular weight water-soluble polymers ROHM AND HAAS COMPANY (US) 1982-02-02 US disclosed
US-4314044-A Process for preparing low molecular weight water-soluble polymers ROHM AND HAAS COMPANY (US) 1982-02-02 US disclosed
EP-0014083-A1 Low molecular weight watersoluble polymers, their preparation and their use in scale inhibition ROHM AND HAAS COMPANY (US) 1980-08-06 EP disclosed
EP-0014083-A1 Low molecular weight watersoluble polymers, their preparation and their use in scale inhibition ROHM AND HAAS COMPANY (US) 1980-08-06 EP disclosed