SCHEMBL9521759

SCHEMBL9521759

CCC(O)C(CC)(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
DPP4 P27487 1/20 0.32

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
SCHEMBL5675923 0.94 TSHR (0.46) TSHRDPP4
SCHEMBL5677899 0.88 TSHR (0.50) TSHRDPP4
SCHEMBL6847168 0.85 TSHR (0.53) TSHR
SCHEMBL15044071 0.83 TSHR (0.33) TSHRDPP4
SCHEMBL7929601 0.82 TSHR (0.36) TSHR
SCHEMBL28283520 0.80 TSHR (0.34) TSHR
SCHEMBL10894349 0.79 TSHR (0.42) TSHR
SCHEMBL28477505 0.79 TSHR (0.35) TSHRDPP4
SCHEMBL16074677 0.78 TSHR (0.33) TSHRDPP4
SCHEMBL17464903 0.77 CYP2C19 (0.34) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101321834-A Versatile pigmented ink-jet inks with improved image quality HEWLETT PACKARD DEVELOPMENT CO (US) 2008-12-10 CN disclosed
CN-1443815-A Ink-jet type ink group EASTMAN KODAK CO (US) 2003-09-24 CN disclosed
EP-0211598-B1 Pesticidal compounds WELLCOME FOUND (GB) 1993-12-15 EP disclosed
US-5098929-A Insecticides, insect attractants, fungicides or oxidase inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-24 US disclosed
EP-0211598-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-02-25 EP disclosed