⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11016745 | 0.78 | FLT1 (0.32) | — | |
| SCHEMBL26596768 | 0.77 | MEN1 (0.37) | — | |
| SCHEMBL8665893 | 0.76 | MAPT (0.52) | — | |
| SCHEMBL716236 | 0.73 | IDO1 (0.31) | — | |
| SCHEMBL21337575 | 0.73 | MAPT (0.48) | — | |
| SCHEMBL11016637 | 0.73 | IDO1 (0.35) | — | |
| SCHEMBL1880902 | 0.69 | IDO1 (0.41) | — | |
| SCHEMBL29726936 | 0.69 | IDO1 (0.41) | — | |
| SCHEMBL4433305 | 0.67 | POLB (0.49) | — | |
| SCHEMBL16828923 | 0.66 | POLB (0.35) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060084102-A1 | Methods for determining precise HERG interactions by mutagenesis | NEURION PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | US | disclosed |
| WO-2006039717-A2 | METHODS OF DETERMINING PRECISE HERG INTERACTIONS AND ALTERING COMPOUNDS BASED ON SAID INTERACTIONS | NEURION PHARMACEUTICALS, INC. (US) | 2006-04-13 | — | — | WO | disclosed |
| WO-2006039716-A2 | METHODS OF DETERMINING PRECISE HERG INTERACTIONS BY MUTAGENESIS | NEURION PHARMACEUTICALS, INC. (US) | 2006-04-13 | — | — | WO | disclosed |
| US-20060014159-A1 | Methods of determining precise HERG interactions and designing compounds based on said interactions | NEURION PHARMACEUTICALS, INC. (US) | 2006-01-19 | — | — | US | disclosed |
| EP-1578992-A2 | METHODS OF DETERMINING PRECISE HERG INTERACTIONS AND ALETRING COMPOUNDS BASED ON SAID INTERACTIONS | Neurion Pharmaceuticals, Inc. (US) | 2005-09-28 | — | — | EP | disclosed |
| WO-2005086611-A2 | METHODS OF PRECISE MOLECULAR-LEVEL DETERMINATION OF LIGAND-RECEPTOR INTERACTIONS AND DESIGNING SELECTIVE DRUG COMPOUNDS BASED ON SAID INTERACTIONS | NEURION PHARMACEUTICALS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |
| US-20050009103-A1 | Methods of precise molecular-level determination of ligand-receptor interactions and designing selective drug compounds based on said interactions | NEURION PHARMACEUTICALS (US) | 2005-01-13 | — | — | US | disclosed |
| US-20040259256-A1 | Methods of unnatural amino acid incorporation in mammalian cells | NEURION PHARMACEUTICALS | 2004-12-23 | — | — | US | disclosed |
| WO-2004085463-A2 | METHODS OF UNNATURAL AMINO ACID INCORPORATION IN PROTEINS IN MAMMALIAN CELLS | NEURION PHARMACEUTICALS (US) | 2004-10-07 | — | — | WO | disclosed |
| US-20040180401-A1 | Methods of determining precise HERG interactions and designing compounds based on said interactions | NEURION PHARMACEUTICALS, INC. (US) | 2004-09-16 | — | — | US | disclosed |
| WO-2003100082-A2 | METHODS OF DETERMINING PRECISE HERG INTERACTIONS AND ALTERING COMPOUNDS BASED ON SAID INTERACTIONS | NEURION PHARMACEUTICALS, INC. (US) | 2003-12-04 | — | — | WO | disclosed |