⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5521728 | 0.82 | RXFP1 (0.34) | — | |
| SCHEMBL4638949 | 0.73 | IP6K1 (0.34) | — | |
| SCHEMBL6581921 | 0.62 | IP6K1 (0.30) | — | |
| SCHEMBL4639205 | 0.62 | ADRA2A (0.47) | — | |
| SCHEMBL14337126 | 0.62 | PARP1 (0.38) | — | |
| SCHEMBL4639104 | 0.61 | IP6K1 (0.33) | — | |
| SCHEMBL16706982 | 0.61 | ESR1 (0.35) | — | |
| Acetic Acid SCHEMBL16699530 | 0.60 | ADRA2A (0.42) | — | |
| SCHEMBL6581939 | 0.59 | RXFP1 (0.44) | — | |
| SCHEMBL4638632 | 0.58 | IP6K1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070037985-A1 | Hydrogenating a corresponding nitroarene or nitroheteroarene with formic acid and/or ammonium formate as hydrogen donor and formylating agent in the presence of at least one noble metal-based hydrogenation catalyst and a vanadium or molybdenum compound as co-catalyst | KAMPFEN ULRICH | 2007-02-15 | — | — | US | disclosed |