SCHEMBL9055844

SCHEMBL9055844

C=C(C)C(=O)OC(CCC(O)C(O)CCO)OC(=O)C(=C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.34
THRB P10828 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
SCHEMBL8965806 0.87 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL18063109 0.79 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL18063115 0.79 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL16094200 0.78 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL15901805 0.78 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL890447 0.77 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL17010184 0.76 PTPN1 (0.36) TSHRALDH1A1
SCHEMBL18063177 0.76 PTPN1 (0.38) TSHRALDH1A1
SCHEMBL15901830 0.75 THRB (0.38) TSHRALDH1A1THRB
SCHEMBL27586199 0.75 TSHR (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996010216-A1 NEGATIVE OR POSITIVE WORKING SURPRINT COLOUR PROOFING SYSTEM AGFA-GEVAERT NAAMLOZE VENNOOTSCHAP (BE) 1996-04-04 WO disclosed