SCHEMBL28412908

SCHEMBL28412908

O=S(=O)(O)NCCCCO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.37
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
ALDH1A1 P00352 2/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 2/20 0.36
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PPARA Q07869 2/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL27695076 0.97 GRIA1 (0.41) GRIA1CA1CA2ALDH1A1CA12
SCHEMBL5147794 0.94
Sulfuric Acid SCHEMBL4690187 0.92 ALDH1A1 (0.39) GRIA1CA1CA2ALDH1A1CA12
SCHEMBL29229351 0.85 GRIA1 (0.42) GRIA1CA1CA2ALDH1A1CA12
SCHEMBL12856641 0.83 CA1 (0.52) GRIA1CA1CA2ALDH1A1CA12
SCHEMBL1263886 0.82
SCHEMBL18893624 0.82 ALDH1A1 (0.31) GRIA1CA1CA2ALDH1A1TDP1
Sulfuric Acid SCHEMBL5787799 0.80 ALDH1A1 (0.36) ALDH1A1PKMGAA
Sulfuric Acid SCHEMBL8718737 0.80 ALDH1A1 (0.36) ALDH1A1PKMGAA
SCHEMBL1145060 0.79 CA2 (0.56) GRIA1CA1CA2CA12CA9

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
CN-111240165-B Toner binder and toner 三洋化成工业株式会社 2023-06-27 CN disclosed
CN-111240165-A Toner binder and toner 三洋化成工业株式会社 2020-06-05 CN disclosed
CN-106462094-B Toner binder and toner 三洋化成工业株式会社 2020-05-01 CN disclosed