SCHEMBL11069031

SCHEMBL11069031

CC(=O)NC(C(C)C)S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTRB1 P17538 2/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL453064 0.83 TGFBR1 (0.44) ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL27967315 0.81 TGFBR1 (0.43) ALDH1A1KDM4E
SCHEMBL27967489 0.81 TGFBR1 (0.43) ALDH1A1KDM4E
SCHEMBL27967319 0.81 TGFBR1 (0.43) ALDH1A1KDM4E
SCHEMBL4576211 0.77
SCHEMBL10724334 0.77 TGFBR1 (0.33)
SCHEMBL27935173 0.76 CYP2C9 (0.42) ALDH1A1KDM4EMAPTCA12
SCHEMBL7038954 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL8505832 0.74
SCHEMBL7074584 0.74 TGFBR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384483-B1 FUNCTIONALIZED PHOSPHONATES, AND WATER-SOLUBLE SALTS AND N-OXIDE DERIVATIVES THEREOF, AND METHOD OF USE THEREOF AS SCALE INHIBITOR DORF KETAL BRASIL LTDA BRAZIL (BR) 2025-05-07 EP disclosed
US-20240351930-A1 FUNCTIONALIZED PHOSPHONATES, AND WATER-SOLUBLE SALTS AND N-OXIDE DERIVATIVES THEREOF, AND METHOD OF USE THEREOF AS SCALE INHIBITOR DORF KETAL BRASIL LTDA, BRAZIL (BR) 2024-10-24 US disclosed
EP-4384483-A1 FUNCTIONALIZED PHOSPHONATES, AND WATER-SOLUBLE SALTS AND N-OXIDE DERIVATIVES THEREOF, AND METHOD OF USE THEREOF AS SCALE INHIBITOR DORF KETAL BRASIL LTDA, BRAZIL (BR) 2024-06-19 EP disclosed
WO-2023021375-A1 FUNCTIONALIZED PHOSPHONATES, AND WATER-SOLUBLE SALTS AND N-OXIDE DERIVATIVES THEREOF, AND METHOD OF USE THEREOF AS SCALE INHIBITOR DORF KETAL BRASIL LTDA, BRAZIL (BR) 2023-02-23 WO disclosed
EP-0142799-A1 Ammonium salts of polyacids, process for their preparation, fungicides which contain these salts and process for combating fungi with these salts BASF Aktiengesellschaft (DE) 1985-05-29 EP disclosed