SCHEMBL8645723

SCHEMBL8645723

O=C([O-])CC(=O)C(F)(F)F.O=C([O-])CC(=O)C(F)(F)F.O=C([O-])CC(=O)C(F)(F)F.[Al+3]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.47
PLOD2 O00469 3/20 0.39
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38
CASP1 P29466 1/20 0.36
FAAH O00519 8/20 0.36
CES1 P23141 6/20 0.34
CES2 O00748 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 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
SCHEMBL7544591 0.94 CA4 (0.47) CA4PLOD2PLOD3PLOD1CASP1
SCHEMBL14973491 0.94 CA4 (0.47) CA4PLOD2PLOD3PLOD1CASP1
SCHEMBL1360548 0.94 CA4 (0.47) CA4PLOD2PLOD3PLOD1CASP1
SCHEMBL28648698 0.94 CA4 (0.47) CA4PLOD2PLOD3PLOD1CASP1
SCHEMBL28387969 0.82 CA4 (0.41) CA4PLOD2PLOD3PLOD1CASP1
SCHEMBL2324137 0.81 PLOD2 (0.38) CA4PLOD2PLOD3PLOD1FAAH
SCHEMBL183178 0.78 PLOD2 (0.46) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL9510912 0.76 PLOD2 (0.38) CA4PLOD2PLOD3PLOD1FAAH
SCHEMBL5787604 0.76 PLOD2 (0.38) CA4PLOD2PLOD3PLOD1FAAH
SCHEMBL184054 0.76 PLOD2 (0.38) CA4PLOD2PLOD3PLOD1FAAH

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
US-5712331-A Curable epoxy compositions containing aziridine in supercritical fluid carbon dioxide ROCKWELL INTERNATIONAL CORPORATION (US) 1998-01-27 US claimed
EP-0758662-A2 Curable epoxy compositions containing aziridine ROCKWELL INTERNATIONAL CORPORATION (US) 1997-02-19 EP claimed
CN-106662814-B Photosensitive resin composition, resist laminate, and cured product (11) thereof 日本化药株式会社 2019-12-17 CN disclosed
US-5712331-A Curable epoxy compositions containing aziridine in supercritical fluid carbon dioxide ROCKWELL INTERNATIONAL CORPORATION (US) 1998-01-27 US disclosed
EP-0758662-A2 Curable epoxy compositions containing aziridine ROCKWELL INTERNATIONAL CORPORATION (US) 1997-02-19 EP disclosed