⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4386741 | 0.86 | TSHR (0.31) | — | |
| SCHEMBL17046808 | 0.72 | — | — | |
| SCHEMBL7958349 | 0.66 | TSHR (0.34) | — | |
| SCHEMBL2228855 | 0.62 | DPP4 (0.32) | — | |
| SCHEMBL297818 | 0.61 | TSHR (0.37) | — | |
| SCHEMBL297819 | 0.61 | TSHR (0.37) | — | |
| SCHEMBL4799981 | 0.61 | — | — | |
| SCHEMBL27997142 | 0.58 | TSHR (0.34) | — | |
| SCHEMBL665307 | 0.58 | — | — | |
| SCHEMBL28985473 | 0.58 | DPP4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0989162-A1 | THERMOPLASTIC RESIN COMPOSITION, WATER-BASED COMPOSITION, HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE, AND HEAT-SENSITIVE SHEET | Daicel Chemical Industries, Ltd. (JP) | 2000-03-29 | — | — | EP | disclosed |