⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8651641 | 0.76 | — | — | |
| SCHEMBL4392191 | 0.74 | — | — | |
| Ether SCHEMBL9560128 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL2498188 | 0.74 | ALOX15 (0.41) | — | |
| Ether SCHEMBL9581644 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL4400026 | 0.72 | — | — | |
| SCHEMBL616451 | 0.72 | ALOX15 (0.44) | — | |
| SCHEMBL8419157 | 0.71 | — | — | |
| Ether SCHEMBL335388 | 0.71 | TSHR (0.56) | — | |
| Ether SCHEMBL4609718 | 0.71 | TSHR (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0822544-B1 | Optical recording medium | MITSUI CHEMICALS INC (JP) | 2001-01-03 | — | — | EP | disclosed |
| US-6060606-A | OPTICAL RECORDING MEDIUM HAVING AT LEAST A RECORDING LAYER AND A REFLECTIVE LAYER ON A SUBSTRATES; HIGH DENSITY, COMPACT DISKS | MITSUI CHEMICALS, INC. (JP) | 2000-05-09 | — | — | US | disclosed |
| US-5948593-A | CONTAINING A PIPYRROMETHENE METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 1999-09-07 | — | — | US | disclosed |
| EP-0822544-A1 | Optical recording medium | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1998-02-04 | — | — | EP | disclosed |