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Sugi Predict / Compounds / SCHEMBL7930053

SCHEMBL7930053

SCHEMBL7930053

CC(C)(C)OOC(C)(C)CCOC(=O)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(=O)OCCC(C)(C)OOC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8330757 0.93 ALDH1A1 (0.32) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL7792532 0.93 ALDH1A1 (0.32) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL7792538 0.86 — —
SCHEMBL7928598 0.82 TSHR (0.41) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8586653 0.79 TSHR (0.40) ALDH1A1TSHR
SCHEMBL8615498 0.79 THRB (0.46) ALDH1A1TSHRTDP1
SCHEMBL7921574 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTDP1
SCHEMBL28737786 0.77 TSHR (0.33) TSHRTDP1
SCHEMBL7927628 0.77 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10
SCHEMBL7928640 0.76 TSHR (0.50) ALDH1A1TSHR

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-0850929-B1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ATOFINA CHEM INC (US) 2001-06-27 — — EP disclosed
EP-0850929-A1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 — — EP disclosed