⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57544 | 0.94 | MEN1 (0.43) | — | |
| SCHEMBL7365931 | 0.94 | MEN1 (0.43) | — | |
| SCHEMBL31646759 | 0.94 | MEN1 (0.43) | — | |
| SCHEMBL29026443 | 0.89 | — | — | |
| SCHEMBL28393572 | 0.88 | MEN1 (0.42) | — | |
| SCHEMBL17735506 | 0.86 | MEN1 (0.48) | — | |
| SCHEMBL7979854 | 0.83 | MEN1 (0.40) | — | |
| SCHEMBL18084870 | 0.83 | MEN1 (0.40) | — | |
| SCHEMBL8361313 | 0.82 | MEN1 (0.50) | — | |
| SCHEMBL7167518 | 0.82 | MEN1 (0.51) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020229974-A1 | MACROCYCLIC CHELATORS AND METHODS OF USE THEREOF | JANSSEN BIOTECH, INC. (US) | 2020-11-19 | — | — | WO | disclosed |
| US-8816079-B2 | Amide derivative and use thereof as medicine | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2014-08-26 | — | — | US | disclosed |
| EP-2565182-A1 | NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE | Mitsubishi Tanabe Pharma Corporation (JP) | 2013-03-06 | — | — | EP | disclosed |
| US-20130040930-A1 | NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2013-02-14 | — | — | US | disclosed |