SCHEMBL30428547

SCHEMBL30428547

CC(=O)OC(C)=C(C)OC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
TSHR P16473 3/20 0.69
TDP1 Q9NUW8 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 4/20 0.39
THPO P40225 1/20 0.36
FFAR3 O14843 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CA1 P00915 2/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 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
SCHEMBL27624771 0.87
SCHEMBL1948880 0.87
SCHEMBL11421642 0.87 ALDH1A1 (0.91) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL531618 0.85
Methyl Alcohol SCHEMBL28282955 0.83 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL14740684 0.83
SCHEMBL15529135 0.83
SCHEMBL28215135 0.83
SCHEMBL1331977 0.82
SCHEMBL9866292 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4433451-A1 IMINIUM SALTS WITH A BARRALENE RING, CORRESPONDING RUTHENIUM COMPLEXES, AND USES THEREOF Ecole Nationale Supérieure de Chimie de Rennes (FR) 2024-09-25 EP disclosed
WO-2023088919-A1 IMINIUM SALTS WITH A BARRALENE RING, CORRESPONDING RUTHENIUM COMPLEXES, AND USES THEREOF ECOLE NATIONALE SUPÉRIEURE DE CHIMIE DE RENNES (FR) 2023-05-25 WO disclosed