SCHEMBL9213810

SCHEMBL9213810

O=CC(=O)C(=O)OC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL1263842 0.84 TSHR (0.47) TSHRSRC
SCHEMBL16401951 0.79 TSHR (0.43) TSHRSRC
SCHEMBL1263837 0.79 TSHR (0.43) TSHRSRC
SCHEMBL9223118 0.76 TSHR (0.39) TSHRSRC
SCHEMBL2909114 0.75 SRC (0.36) TSHRSRC
SCHEMBL11299978 0.75 SRC (0.36) TSHRSRC
SCHEMBL7516069 0.74 TSHR (0.47) TSHRSRC
SCHEMBL7516079 0.74 TSHR (0.47) TSHRSRC
SCHEMBL2072253 0.73 SRC (0.54) TSHRSRC
SCHEMBL18141689 0.72 ALDH1A1 (0.39) TSHRSRC

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-1995005154-A1 CLEANSING COMPOSITION UNILEVER PLC (GB) 1995-02-23 WO disclosed