SCHEMBL8675820

SCHEMBL8675820

C=C(C)C(=O)OCCN1CCOC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
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
SCHEMBL5369005 0.92 THRB (0.46) THRBTSHRALDH1A1CA1CA2
SCHEMBL11323191 0.84 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL11504218 0.81 THRB (0.37) THRBTSHRALDH1A1
SCHEMBL8677312 0.81 TSHR (0.40) THRBTSHRALDH1A1
SCHEMBL11530639 0.79 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11527930 0.75 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17029722 0.75 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5366993 0.73 THRB (0.42) THRBTSHRALDH1A1
SCHEMBL235038 0.73 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12860038 0.73 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4376844-A STORAGE STABILITY ROHM AND HAAS COMPANY (US) 1983-03-15 US claimed
US-4331793-A UNSATURATED GLYCIDYL MONOMER, OXAZOLIDINYL OR OXAZINYLALKYL ACRYLATE ROHM AND HAAS COMPANY (US) 1982-05-25 US claimed
US-4308356-A Hydrocurable ambient curing polyepoxide coating and adhesive compositions and method of using same ROHM AND HAAS COMPANY (US) 1981-12-29 US claimed
US-5840806-A COMPOSITION COMPRISING RESIN FORMED BY CONDENSATION OF POLYSILOXANE WITH POLYMER HAVING HYDROLYZABLE SILYL GROUP AND ADDITIONAL FUNCTIONAL GROUP, COMPOUND CAPABLE OF REACTING WITH SAID GROUP DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-11-24 US disclosed
US-4373008-A Ambient hydrocurable coating compositions ROHM AND HAAS COMPANY (US) 1983-02-08 US disclosed
US-4299867-A ACRYLIC POLYMER OF AN OXAZOLIDINE FUNCTIONAL MONOMER AND AN UNSATURATED ESTER ROHM AND HAAS COMPANY (US) 1981-11-10 US disclosed
EP-0034720-A2 Hydrocurable compositions comprising substituted oxazolidine or oxazine polymer and poly acryloxy compound, and their use in coatings, impregnants and adhesives ROHM AND HAAS COMPANY (US) 1981-09-02 EP disclosed