⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80892 | 0.83 | CA2 (0.35) | — | |
| SCHEMBL6909899 | 0.83 | SKP2 (0.42) | — | |
| SCHEMBL21694424 | 0.82 | ESR1 (0.30) | — | |
| SCHEMBL6911563 | 0.80 | SLC6A2 (0.44) | — | |
| SCHEMBL6911329 | 0.79 | CNR1 (0.40) | — | |
| SCHEMBL8662821 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL21694417 | 0.74 | HRH3 (0.34) | — | |
| SCHEMBL6909944 | 0.74 | TRPA1 (0.38) | — | |
| SCHEMBL586035 | 0.73 | FFAR1 (0.44) | — | |
| SCHEMBL18826310 | 0.70 | LMNA (0.33) | — |
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-2168944-B1 | AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORP (JP) | 2016-05-11 | — | — | EP | disclosed |
| CN-101730677-B | Amine compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORP | 2014-07-16 | — | — | CN | disclosed |
| US-8129361-B2 | Amine compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20100179216-A1 | AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-07-15 | — | — | US | disclosed |
| EP-2168944-A1 | AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF | Mitsubishi Tanabe Pharma Corporation (JP) | 2010-03-31 | — | — | EP | disclosed |