SCHEMBL5695328

SCHEMBL5695328

CC1(C)CC(=O)CC(=O)C1.O=C1CCC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
ALOX15 P16050 1/20 0.42
MAOA P21397 1/20 0.39
MAPT P10636 5/20 0.37
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 3/20 0.34
CYP2A6 P11509 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 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
SCHEMBL9336430 0.91 ALDH1A1 (0.47) ALDH1A1ALOX15MAOAMAPTKDM4E
SCHEMBL123127 0.91 ALDH1A1 (0.47) ALDH1A1ALOX15MAOAMAPTKDM4E
Hydrochloric Acid SCHEMBL3316045 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Water SCHEMBL4753900 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Bromide SCHEMBL6744490 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Iodide SCHEMBL2127044 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
SCHEMBL309527 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Iodide SCHEMBL16764629 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Bromide SCHEMBL7687601 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
SCHEMBL9413781 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253466-B1 Diazonium salt and heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 2006-05-31 EP disclosed
US-6703345-B2 STORAGE PROPERTY BEFORE PRINTING (RAW STORAGE PROPERTY) AND LIGHT- RESISTANCE AFTER PRINTING (IMAGE STORAGE PROPERTY) FUJI PHOTO FILM CO., LTD. (JP) 2004-03-09 US disclosed
US-20020183204-A1 Diazonium salt and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2002-12-05 US disclosed
EP-1253466-A1 Diazonium salt and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 2002-10-30 EP disclosed