SCHEMBL4890618

SCHEMBL4890618

COC(C)COC(C)COC(=O)C=CC#N

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL440285 0.94 TSHR (0.40) TSHRALDH1A1HPGD
SCHEMBL4885631 0.87 TSHR (0.33) TSHR
SCHEMBL4893688 0.85 HCAR2 (0.37) TSHR
SCHEMBL4891419 0.83 TSHR (0.35) TSHRALDH1A1HPGD
SCHEMBL4893681 0.81 HCAR2 (0.41) TSHR
SCHEMBL168359 0.81 TSHR (0.53) TSHRALDH1A1HPGD
SCHEMBL28679999 0.81 HCAR2 (0.47) TSHRALDH1A1HPGD
SCHEMBL38653096 0.81 HCAR2 (0.47) TSHRALDH1A1HPGD
SCHEMBL4891948 0.81 TSHR (0.33) TSHR
SCHEMBL4884984 0.80 HCAR2 (0.42) TSHR

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-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed