SCHEMBL7132124

SCHEMBL7132124

C=C(C)C(=O)OCC(C)CC1(CC(C)COC(=O)C(=C)C)C2(C(=O)O)CC3(C)CC(C)(C2)CC1(C(=O)O)C3

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
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
SCHEMBL7124377 0.81 TSHR (0.46) TSHRALDH1A1
SCHEMBL7131102 0.81 TSHR (0.33) TSHR
SCHEMBL7129749 0.81 TSHR (0.43) TSHRALDH1A1
SCHEMBL7126116 0.75 TSHR (0.45) TSHRALDH1A1
SCHEMBL7791065 0.74 TSHR (0.47) TSHRALDH1A1
SCHEMBL7120784 0.74 TSHR (0.48) TSHRALDH1A1
SCHEMBL7129197 0.74 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL5901135 0.72 TSHR (0.51) TSHRALDH1A1
SCHEMBL7125369 0.71 TSHR (0.44) TSHRALDH1A1
SCHEMBL3319370 0.71 TSHR (0.75) TSHRALDH1A1

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-6670499-B1 Bis-Methacryloyloxy-adamantanedicarboxylate derivatives; raw materials for dental materials and lenses; transparency, luster, hardness, water resistance DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-30 US disclosed