SCHEMBL6236482

SCHEMBL6236482

O=C1OC(=O)C(CBr)=C1CBr

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL304472 0.81
SCHEMBL13668738 0.69
SCHEMBL2233762 0.69
SCHEMBL13337384 0.67
SCHEMBL10924835 0.67
SCHEMBL22654548 0.67 CDC25A (0.38) TSHRALOX15TDP1ALDH1A1
SCHEMBL2051403 0.59 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL3292856 0.59 CDC25A (0.33)
SCHEMBL8625019 0.57
SCHEMBL194752 0.53 TSHR (1.00) TSHRALOX15TDP1ALDH1A1

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-2005016260-A2 PRODRUGS FOR THE ORAL AND PARENTERAL DELIVERY OF AMINE-CONTAINING DRUGS, AMINO ACIDS, AND PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-24 WO disclosed