SCHEMBL23569029

SCHEMBL23569029

NCCOCCNC(=O)CCNC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CA14 Q9ULX7 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ CA12 O43570 5/20 0.39
▸ CA4 P22748 5/20 0.39
▸ CA9 Q16790 5/20 0.39
▸ CA3 P07451 2/20 0.39
▸ CA5A P35218 2/20 0.39
▸ CA5B Q9Y2D0 2/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ EPHX1 P07099 1/20 0.37
▸ CA1 P00915 4/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NPY1R P25929 2/20 0.34

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 SCHEMBL27202278 0.98 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15085198 0.92 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL12833035 0.90 SMN1; SMN2 (0.52) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL12116757 0.89 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL23148226 0.89 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15084869 0.85 CA12 (0.45) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15188737 0.83 SMN1; SMN2 (0.48) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL25031841 0.82 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL38654908 0.81 SMN1; SMN2 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4388146 0.80 NPY1R (0.40) CA14CA2CA12CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035986-A1 NOVEL CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-02-02 — — US disclosed
WO-2022270549-A1 NOVEL POLYMER-COATED CROSSLINKED ALGINATE GEL FIBER 持田製薬株式会社 2022-12-29 — — WO disclosed
WO-2022145419-A1 MULTILAYER STRUCTURE USING CHEMICALLY CROSSLINKED ALGINIC ACID 持田製薬株式会社 2022-07-07 — — WO disclosed
WO-2022145420-A1 NOVEL MULTILAYER POLYMER-COATED CROSSLINKED ALGINATE GEL FIBER 持田製薬株式会社 2022-07-07 — — WO disclosed
WO-2021125255-A1 NOVEL CROSSLINKED ALGINIC ACID 持田製薬株式会社 2021-06-24 — — WO disclosed
WO-2021125279-A1 CHEMICALLY CROSSLINKED ALGINATE GEL FIBER 持田製薬株式会社 2021-06-24 — — WO disclosed
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