SCHEMBL6930399

SCHEMBL6930399

C=CC(=O)OC(CC)COC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6930405 0.95 TSHR (0.37) TSHRTP53CYP3A4
SCHEMBL1151516 0.84 TSHR (0.41) TSHRTP53CYP3A4
SCHEMBL194103 0.83 TSHR (0.34) TSHRTP53CYP3A4
SCHEMBL31250079 0.83 TP53 (0.45) TP53CYP3A4
SCHEMBL28029410 0.80 TSHR (0.46) TSHRTP53CYP3A4
SCHEMBL27652588 0.80 PEPD (0.31) TSHR
SCHEMBL27646491 0.79 TSHR (0.38) TSHR
SCHEMBL6297535 0.78 PEPD (0.33) TSHR
SCHEMBL691186 0.78 TSHR (0.46) TSHRTP53CYP3A4
SCHEMBL10168261 0.78 TSHR (0.41) TSHRTP53CYP3A4

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-6610802-B2 Polymerizing unsatd. monomers with a transition metal catalyst and a coordination compound-forming ligand; filtration using a filter aid having carboxylic acid-, sulfonic acid- or phosphonic acid-containing units ROHMAX ADDITIVES GMBH (DE) 2003-08-26 US disclosed
US-20030060587-A1 Process for synthesis of polymer compositions, polymer compositions obtainable by the process, and use of the same ROHMAX ADDITIVES GMBH (DE) 2003-03-27 US disclosed