⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8371237 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL57319 | 0.81 | — | — | |
| SCHEMBL2768688 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL10796094 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL373842 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL31091408 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL9539625 | 0.77 | — | — | |
| SCHEMBL6304922 | 0.77 | — | — | |
| SCHEMBL9001792 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL16631788 | 0.74 | OR51E2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1103954-A | Molded article of graded refractive index exhibiting low dispersion | HOECHST CELANESE CORP (US) | 1995-06-21 | — | — | CN | disclosed |