SCHEMBL13868617

SCHEMBL13868617

Cc1c2c3cc4c1OCOc1c(cc5c(c1C)O[C@@H](C(=O)O)Oc1c(cc6c(c1C)OCOc1c(cc(c(c1C)OCO2)[C@H]3C)[C@@H]6C)[C@@H]5C)[C@@H]4C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CASP6 P55212 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
SCHEMBL13868616 0.79
SCHEMBL13868620 0.78
SCHEMBL10390650 0.53 POLB (0.50) POLBCASP6
SCHEMBL12993816 0.51 ALOX5 (0.31)
SCHEMBL4639321 0.51
SCHEMBL14283999 0.51 ACHE (0.37)
SCHEMBL2547829 0.51 POLB (0.69) POLBCASP6
SCHEMBL22433011 0.49 NQO2 (0.39) POLB
SCHEMBL31360301 0.49 ALDH1A1 (0.53) POLB
Formaldehyde SCHEMBL27560205 0.48 POLB (0.64) POLBCASP6

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
US-7531359-B2 Specifically designed to interact with organophosphorus vapors, especially nerve gas agents, sarin gas or dimethyl methylphosphonate; enhanced selectivity and sensitivity; surface plasmon resonance THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-05-12 US disclosed
US-20070036681-A1 CAVITANDS FOR CHEMICAL VAPOR SENSING THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-02-15 US disclosed