⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4633752 | 0.85 | NAAA (0.32) | — | |
| SCHEMBL21199573 | 0.84 | NAAA (0.36) | — | |
| SCHEMBL22160193 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL4392269 | 0.79 | — | — | |
| SCHEMBL4396648 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL94333 | 0.76 | CYP2D6 (0.33) | — | |
| SCHEMBL8168919 | 0.75 | NAAA (0.34) | — | |
| SCHEMBL1072881 | 0.74 | NPC1 (0.32) | — | |
| SCHEMBL4393275 | 0.73 | — | — | |
| SCHEMBL10507828 | 0.72 | ALDH1A1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090306376-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME | MITSUI CHEMICALS, INC. (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20070054084-A1 | Optical recording medium and compound used for the same | MITSUI CHEMICALS, INC. (JP) | 2007-03-08 | — | — | US | disclosed |
| EP-1672626-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM | Mitsui Chemicals, Inc. (JP) | 2006-06-21 | — | — | EP | disclosed |