SCHEMBL8893654

SCHEMBL8893654

O=S(=O)(O)OO.O=S(=O)(O)OO.O=S(=O)(O)OO.O=S(=O)(O)OO.O=S(=O)(O)OO.[NaH].[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA1 P00915 1/20 0.36
NT5E P21589 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL28527602 1.00
SCHEMBL15271891 1.00 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
SCHEMBL9154423 1.00 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
SCHEMBL1260760 1.00 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
SCHEMBL6027655 1.00
SCHEMBL8032209 0.96
Hydrochloric Acid SCHEMBL28869974 0.96
Hydrochloric Acid SCHEMBL27902360 0.96
SCHEMBL3193656 0.96 CA2 (0.47) CA2TSHRTDP1CA5ACA5B
SCHEMBL10405525 0.96

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
US-5700455-A MODIFIED HYDROCOLLOIDS PERMETHYL SPECIALTIES, L.L.C. (US) 1997-12-23 US disclosed