SCHEMBL5545986

SCHEMBL5545986

CCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(=O)OCCOCCOC(=O)OOC(C)(C)CCC(C)(C)OOC(C)(C)CC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL8530751 0.94 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL6930648 0.93 TSHR (0.36) ALDH1A1TSHRTHRBCYP4F2CYP4A11
SCHEMBL5544364 0.88
SCHEMBL6929790 0.86 ALDH1A1 (0.34) ALDH1A1TSHRTHRBCYP4F2CYP4A11
SCHEMBL8529872 0.85 ATM (0.38) ALDH1A1TSHRTHRBCYP4F2CYP4A11
SCHEMBL8506508 0.84 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL6923591 0.82 DGKA (0.37) ALDH1A1THRBCYP4F2CYP4A11
SCHEMBL6534616 0.82 THRB (0.51) ALDH1A1TSHRTHRB
SCHEMBL8529870 0.81 ALDH1A1 (0.31) ALDH1A1TSHRTHRB
SCHEMBL8505385 0.80 HCAR2 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1382596-B1 Novel poly (monoperoxycarbonates) ARKEMA INC (US) 2007-02-14 EP claimed
EP-1382596-A1 Novel poly (monoperoxycarbonates) Atofina Chemicals, Inc. (US) 2004-01-21 EP claimed
EP-1382596-B1 Novel poly (monoperoxycarbonates) ARKEMA INC (US) 2007-02-14 EP disclosed
EP-1382596-A1 Novel poly (monoperoxycarbonates) Atofina Chemicals, Inc. (US) 2004-01-21 EP disclosed