SCHEMBL4908130

SCHEMBL4908130

C=C(C)C(=O)OC(C)C(CCCC(=O)O)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.35
FOLH1 Q04609 1/20 0.32
PLA2G10 O15496 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
SCHEMBL4906146 0.91 TSHR (0.39) TSHRALDH1A1FOLH1
SCHEMBL4448432 0.87 TSHR (0.36) TSHRALDH1A1FOLH1
SCHEMBL674036 0.82 TSHR (0.41) TSHRALDH1A1
SCHEMBL15043169 0.79 TSHR (0.36) TSHRALDH1A1
SCHEMBL10710811 0.77 TSHR (0.40) TSHRALDH1A1
SCHEMBL4384337 0.74 TSHR (0.37) TSHRALDH1A1FOLH1PLA2G10
SCHEMBL7558128 0.73 TSHR (0.33) TSHR
SCHEMBL4908128 0.72 TSHR (0.41) TSHRALDH1A1FOLH1
SCHEMBL28837644 0.72 TSHR (0.32) TSHRALDH1A1FOLH1
Ammonia Solution, Strong SCHEMBL28364542 0.72 TSHR (0.39) TSHRALDH1A1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080008679-A1 Osteoinduction-assisting composition KABUSHIKI KAISHA SHOFU (JP) 2008-01-10 US disclosed