⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3128087 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL4246767 | 0.82 | TSHR (0.48) | — | |
| SCHEMBL295903 | 0.75 | — | — | |
| SCHEMBL28965299 | 0.75 | TSHR (0.53) | — | |
| SCHEMBL951844 | 0.75 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL2593980 | 0.75 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL4585366 | 0.75 | TSHR (0.53) | — | |
| SCHEMBL8016407 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL21811517 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL141671 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020054874-A1 | PHOTOPOLYMERIZATION SENSITIZER | 川崎化成工業株式会社 | 2020-03-19 | — | — | WO | disclosed |