⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8624273 | 0.85 | ADH1B (0.36) | — | |
| SCHEMBL8923107 | 0.83 | ADH1B (0.38) | — | |
| SCHEMBL8924793 | 0.81 | EPHX1 (0.41) | — | |
| SCHEMBL5528700 | 0.81 | EPHX1 (0.41) | — | |
| SCHEMBL8921966 | 0.81 | EPHX1 (0.41) | — | |
| SCHEMBL9774445 | 0.81 | EPHX1 (0.41) | — | |
| SCHEMBL8924684 | 0.81 | EPHX1 (0.41) | — | |
| SCHEMBL8580441 | 0.78 | — | — | |
| SCHEMBL6698688 | 0.77 | — | — | |
| SCHEMBL11041670 | 0.75 | TDP1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2115153-A2 | NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM | Verenium Corporation (US) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008106662-A2 | NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM | VERENIUM CORPORATION (US) | 2008-09-04 | — | — | WO | disclosed |
| US-5610016-A | REACTING A GLYOXAL DERIVATIVE, CHEMILUMINESCENCE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1997-03-11 | — | — | US | disclosed |
| EP-0675360-A2 | Method for measuring adenyl group containing substances using heteropoly acid | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1995-10-04 | — | — | EP | disclosed |
| US-5192764-A | Viricides, anticancer | RESEARCH FOUNDATION OF STATE OF N.Y. (US) | 1993-03-09 | — | — | US | disclosed |