SCHEMBL5544553

SCHEMBL5544553

O=C(Cl)OCCCOC(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 4/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.35
SERPINE1 P05121 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
NAAA Q02083 1/20 0.33
HPGD P15428 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
EPHX1 P07099 1/20 0.31
ACHE P22303 2/20 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
SCHEMBL336619 0.93 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL6036765 0.90 TSHR (0.46) ALDH1A1TSHRCYP3A4TDP1NAAA
SCHEMBL2263093 0.90 TSHR (0.46) ALDH1A1TSHRCYP3A4TDP1NAAA
SCHEMBL6566333 0.90 TSHR (0.46) ALDH1A1TSHRCYP3A4TDP1NAAA
SCHEMBL11391052 0.90 TSHR (0.46) ALDH1A1TSHRCYP3A4TDP1NAAA
SCHEMBL1065777 0.87
SCHEMBL12317070 0.87 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4SERPINE1
SCHEMBL997657 0.86 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL396209 0.85
Ethylene Glycol SCHEMBL11407620 0.85 TSHR (0.37) ALDH1A1TSHRCYP3A4TDP1NAAA

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 disclosed
EP-1382596-A1 Novel poly (monoperoxycarbonates) Atofina Chemicals, Inc. (US) 2004-01-21 EP disclosed
US-5760149-A POLYMERIZATION INITIATORS, CURING AGENTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-06-02 US disclosed
US-4293503-A Synthesis of polyol bis(allyl carbonate) utilizing reagent recovery and recycle PPG INDUSTRIES, INC. (US) 1981-10-06 US disclosed