⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10743592 | 0.75 | — | — | |
| SCHEMBL10496784 | 0.74 | — | — | |
| SCHEMBL28465733 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL28056670 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL3034529 | 0.72 | — | — | |
| SCHEMBL28989816 | 0.70 | — | — | |
| SCHEMBL4621459 | 0.69 | — | — | |
| SCHEMBL6316573 | 0.68 | — | — | |
| SCHEMBL1402254 | 0.67 | — | — | |
| SCHEMBL27489859 | 0.65 | — | — |
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-0599369-B1 | Thermosensitive recording material | AGFA GEVAERT NV (BE) | 1997-02-19 | — | — | EP | claimed |
| EP-0599369-A1 | Thermosensitive recording material | AGFA-GEVAERT N.V. (BE) | 1994-06-01 | — | — | EP | claimed |
| EP-0599369-B1 | Thermosensitive recording material | AGFA GEVAERT NV (BE) | 1997-02-19 | — | — | EP | disclosed |
| EP-0599369-A1 | Thermosensitive recording material | AGFA-GEVAERT N.V. (BE) | 1994-06-01 | — | — | EP | disclosed |