Sugi Predict

Sugi Predict / Compounds / SCHEMBL29395000

SCHEMBL29395000

SCHEMBL29395000

CC(C)(Br)C(=O)OCCOC(=O)C(C)(Br)CBr

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 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
SCHEMBL36866 0.89 POLB (0.41) POLBGAANPSR1CHRM2CHRM4
SCHEMBL3036484 0.83 TSHR (0.35) POLBGAANPSR1CHRM2CHRM4
SCHEMBL13121176 0.83 CHRM2 (0.47) POLBGAANPSR1CHRM2CHRM4
SCHEMBL19393389 0.82 POLB (0.50) POLBGAANPSR1CHRM2CHRM4
SCHEMBL29664486 0.82 ALDH1A1 (0.38) POLBGAANPSR1CHRM2CHRM4
Ethylene Glycol SCHEMBL830063 0.82 POLB (0.38) POLBGAANPSR1CHRM2CHRM4
SCHEMBL14507455 0.82 ALDH1A1 (0.38) POLBGAANPSR1CHRM2CHRM4
SCHEMBL15962065 0.82 POLB (0.38) POLBGAANPSR1CHRM2CHRM4
SCHEMBL23153213 0.80 ALDH1A1 (0.46) POLBGAANPSR1CHRM2CHRM4
SCHEMBL4608266 0.80 TSHR (0.44) POLBGAANPSR1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112538326-B Silane modified polyacrylate sealant and preparation method thereof 万华化学集团股份有限公司 2022-03-08 — — CN disclosed