⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19334950 | 0.97 | — | — | |
| SCHEMBL8520310 | 0.97 | — | — | |
| SCHEMBL5914812 | 0.88 | — | — | |
| SCHEMBL14478075 | 0.87 | — | — | |
| SCHEMBL10622803 | 0.84 | TSHR (0.57) | — | |
| SCHEMBL11075445 | 0.84 | TSHR (0.57) | — | |
| SCHEMBL8692382 | 0.84 | TSHR (0.57) | — | |
| SCHEMBL14478077 | 0.84 | TSHR (0.57) | — | |
| SCHEMBL10622800 | 0.84 | TSHR (0.57) | — | |
| SCHEMBL11075443 | 0.84 | TSHR (0.57) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0755052-B1 | Optical recording medium | MITSUI CHEMICALS INC (JP) | 1999-11-17 | — | — | EP | disclosed |
| EP-0755052-A2 | Optical recording medium | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1997-01-22 | — | — | EP | disclosed |