SCHEMBL4902304

SCHEMBL4902304

C=C(CCC=O)C(=O)OCC1CO1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MGLL Q99685 4/20 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
SCHEMBL4890193 0.91 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLL
SCHEMBL4898331 0.89 ALDH1A1 (0.51) ALDH1A1TP53CYP3A4MGLL
SCHEMBL3385358 0.87 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4MGLL
SCHEMBL27536032 0.83 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4MGLL
SCHEMBL8054764 0.81 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4MGLL
SCHEMBL4921148 0.81 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4MGLL
SCHEMBL2834069 0.81 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4MGLL
SCHEMBL8686351 0.80 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4MGLL
SCHEMBL631384 0.80 ALDH1A1 (0.64) ALDH1A1TP53CYP3A4MGLL
SCHEMBL2553003 0.79 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4MGLL

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-20130202858-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATTER USING THE SAME FUJIFILM CORPORATION (JP) 2013-08-08 US disclosed
US-7862163-B2 Image forming method and image forming apparatus FUJIFILM CORPORATION (JP) 2011-01-04 US disclosed
US-20080241485-A1 INK COMPOSITION AND IMAGE RECORDING METHOD AND IMAGE RECORDED MATTER USING SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080044587-A1 Inkjet recording method and apparatus FUJIFILM CORPORATION 2008-02-21 US disclosed
US-20080012887-A1 Image forming method and image forming apparatus FUJIFILM CORPORATION 2008-01-17 US disclosed
US-20060257632-A1 Ink composition FUJI PHOTO FILM CO., LTD. 2006-11-16 US disclosed