⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27518206 | 0.71 | — | — | |
| SCHEMBL27543801 | 0.71 | — | — | |
| SCHEMBL27704000 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL818111 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL7112593 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL28281117 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL23435303 | 0.58 | ALDH1A1 (0.40) | — | |
| SCHEMBL813574 | 0.56 | TSHR (0.35) | — | |
| Terephthalic Acid SCHEMBL10900875 | 0.54 | TSHR (0.92) | — | |
| SCHEMBL8094583 | 0.54 | CYP2C19 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070007489-A1 | Heat transfer medium composition | SHISHIAI-KABUSHIKIGAISHA (JP) | 2007-01-11 | — | — | US | claimed |
| EP-1698678-A1 | HEAT CARRIER COMPOSITION | Shishiai-Kabushikigaisha (JP) | 2006-09-06 | — | — | EP | claimed |
| US-20070007489-A1 | Heat transfer medium composition | SHISHIAI-KABUSHIKIGAISHA (JP) | 2007-01-11 | — | — | US | disclosed |
| EP-1698678-A1 | HEAT CARRIER COMPOSITION | Shishiai-Kabushikigaisha (JP) | 2006-09-06 | — | — | EP | disclosed |