SCHEMBL29664486

SCHEMBL29664486

CC(C)(Br)C(=O)OCCOCCOC(=O)C(C)(C)Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SERPINE1 P05121 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
THRB P10828 2/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL14507455 1.00 ALDH1A1 (0.38) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL36866 0.93 POLB (0.41) ALDH1A1TSHRPOLBGAANPSR1
SCHEMBL18286498 0.92 TSHR (0.40) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL17461770 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL12238135 0.90 POLB (0.33) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL3842975 0.90 ALDH1A1 (0.36) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL12533107 0.88 POLB (0.33) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL14192095 0.88 TSHR (0.42) ALDH1A1TSHRCYP4F2CYP4A11THRB
Ethylene Glycol SCHEMBL830063 0.86 POLB (0.38) POLBGAANPSR1CYP4F2CYP4A11
SCHEMBL19393389 0.86 POLB (0.50) ALDH1A1POLBGAANPSR1CYP4F2

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
EP-4259689-A1 NOVEL POLYMERS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2023-10-18 EP disclosed
CN-116601211-A Novel polymers and their use 豪夫迈·罗氏有限公司 2023-08-15 CN disclosed
WO-2022122937-A1 NOVEL POLYMERS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2022-06-16 WO disclosed