SCHEMBL6938567

SCHEMBL6938567

O=C(O)COC(F)(F)C(F)(F)C(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTH P32929 1/20 0.32
CBS P35520 1/20 0.32
THPO P40225 1/20 0.32
THRB P10828 1/20 0.31
ALOX15 P16050 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
SCHEMBL6935812 0.77 TSHR (0.35) TSHRSMN1; SMN2CTHCBSTHPO
SCHEMBL31681398 0.77 TSHR (0.38) TSHRSMN1; SMN2CTHCBSTHPO
SCHEMBL2524434 0.74 TSHR (0.32) TSHRSMN1; SMN2CTHCBSTHPO
SCHEMBL10202772 0.73 TSHR (0.35) TSHRSMN1; SMN2TDP1CTHCBS
SCHEMBL8823967 0.72 CA1 (0.34)
Hydrochloric Acid SCHEMBL8823988 0.71 CA1 (0.33)
SCHEMBL9137243 0.71 THRB (0.39) TSHRSMN1; SMN2CTHCBSTHPO
SCHEMBL15088592 0.71 TSHR (0.33) TSHRSMN1; SMN2CTHCBSTHPO
SCHEMBL1118445 0.71
SCHEMBL10276775 0.70 KDM4E (0.35) TSHRKDM4ETDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600294-B1 Polyether substituted imide compounds and their use BAYER AG (DE) 2003-02-19 EP disclosed
EP-0600294-A2 Polyether substituted imide compounds and their use BAYER AG (DE) 1994-06-08 EP disclosed
EP-0571832-A2 Imides and their salts and their use as surface active agents BAYER AG (DE) 1993-12-01 EP disclosed