SCHEMBL28365014

SCHEMBL28365014

CCOC(=O)CC(C)=O.[Zr]c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
PPID Q08752 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
RAB9A P51151 1/20 0.42
TOP2A P11388 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
Toluene SCHEMBL8882403 0.87 GAA (0.50) GAAMGAMSIMGAM2PPID
Phenol SCHEMBL27983651 0.86 GAA (0.49) GAAMGAMSIMGAM2PPID
Benzene SCHEMBL28270557 0.85 GAA (0.61) GAAMGAMSIMGAM2PPID
Benzoic Acid SCHEMBL11314023 0.84 DAO (0.48) GAAMGAMSIMGAM2PPID
Chlorobenzene SCHEMBL28265424 0.84 SMN1; SMN2 (0.47) GAAMGAMSIMGAM2PPID
Fluorobenzene SCHEMBL27833809 0.84 GAA (0.47) GAAMGAMSIMGAM2PPID
Acetoacetic Acid SCHEMBL9091733 0.83 GAA (0.45) GAAMGAMSIMGAM2PPID
Dibenzoylmethane SCHEMBL28117436 0.83 KMT2A (0.57) GAAMGAMSIMGAM2PPID
Benzaldehyde SCHEMBL28696102 0.83 MEN1 (0.51) GAAMGAMSIMGAM2PPID
Anisole SCHEMBL28302115 0.83 CA4 (0.47) GAAMGAMSIMGAM2PPID

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
CN-110891993-B Low temperature curing 1K basecoat and method for coating a substrate with a 1K basecoat 巴斯夫涂料有限公司 2022-11-22 CN disclosed
CN-109476933-B Low temperature cured coatings via a dual layer cure mechanism of a pigmented water-based base layer and a solvent-based top layer 巴斯夫涂料有限公司 2021-10-12 CN disclosed
CN-110891993-A Low temperature curing 1K basecoat and method of coating a substrate with a 1K basecoat 巴斯夫涂料有限公司 2020-03-17 CN disclosed