SCHEMBL6818897

SCHEMBL6818897

COC(=O)C(C)C(C)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CA14 Q9ULX7 3/20 0.37
CA12 O43570 2/20 0.34
ACHE P22303 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.30
MAPK1 P28482 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
SCHEMBL17236399 0.78 SMN1; SMN2 (0.46) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL16781658 0.77 ALDH1A1 (0.39) ALDH1A1HPGD
SCHEMBL17986909 0.77 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12ACHECA1
SCHEMBL22697343 0.77 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12ACHECA1
SCHEMBL13758531 0.77 AAK1 (0.33) CA14CA12CA1CA2KMT2A
SCHEMBL17986918 0.77 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12ACHECA1
SCHEMBL17236364 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL784551 0.76 SMN1; SMN2 (0.52) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL13946795 0.76 SMN1; SMN2 (0.52) SMN1; SMN2CA14CA12CA1CA2
Hydrochloric Acid SCHEMBL35210724 0.76 SMN1; SMN2 (0.35) SMN1; SMN2CA14CA12ACHECA1

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
EP-3991989-A1 ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM Corporation (JP) 2022-05-04 EP disclosed
EP-3991986-A1 ORIGINAL PLATE FOR ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING PLATE, METHOD FOR FABRICATING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM Corporation (JP) 2022-05-04 EP disclosed
WO-2004020399-A1 MALONONITRILE COMPOUND AND USE THEREOF AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-11 WO disclosed