SCHEMBL2880677

SCHEMBL2880677

C=C(C)C(=O)OCC1(C(C)C)CCCO1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.33

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
SCHEMBL2882633 0.87 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL11149065 0.82 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL5281867 0.78 ALDH1A1 (0.42) TSHRALDH1A1THRB
SCHEMBL2884061 0.77 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL2878361 0.76 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL2882378 0.75 ALDH1A1 (0.40) TSHRALDH1A1THRB
SCHEMBL2883955 0.73 ALDH1A1 (0.38) TSHRALDH1A1THRB
SCHEMBL2885352 0.72 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL27782756 0.71 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL1356853 0.70 ALDH1A1 (0.44) 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
US-7759451-B2 Fumaric diester copolymer TOSOH CORPORATION (JP) 2010-07-20 US disclosed
US-20070298247-A1 Fumaric diester copolymer TOSOH CORPORATION (JP) 2007-12-27 US disclosed