SCHEMBL4419495

SCHEMBL4419495

C=CC(=O)Oc1ccc([S+](C)C)c2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.34
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
Hydrochloric Acid SCHEMBL4411919 0.81 TYMS (0.45) TYMSTHRATHRB
SCHEMBL271896 0.78 LDHA (0.38) THRB
SCHEMBL3120012 0.77 LDHA (0.37)
SCHEMBL3120425 0.77 CYP1A2 (0.34)
SCHEMBL271897 0.77 CA1 (0.33)
SCHEMBL3122212 0.76 CYP1A2 (0.33)
SCHEMBL3968936 0.76 CA1 (0.34)
SCHEMBL3115143 0.75 SLC22A12 (0.35)
SCHEMBL1593672 0.74 LDHA (0.39) THRB
SCHEMBL3117984 0.74 SLC22A12 (0.35)

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-7638266-B2 Ultrathin polymeric photoacid generator layer and method of fabricating at least one of a device and a mask by using said layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-12-29 US disclosed
US-20060035167-A1 Ultrathin polymeric photoacid generator layer and method of fabricating at least one of a device and a mask by using said layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2006-02-16 US disclosed