⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27527959 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL27267956 | 0.76 | — | — | |
| SCHEMBL28070332 | 0.75 | — | — | |
| SCHEMBL27364965 | 0.74 | HPGD (0.33) | — | |
| Ethylene SCHEMBL27681346 | 0.74 | HPGD (0.32) | — | |
| Trimethylammonium SCHEMBL27858062 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28221147 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL27669979 | 0.70 | — | — | |
| SCHEMBL27356556 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL27684418 | 0.69 | — | — |
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-102666749-A | Ink composition for letterpress reverse printing, printed matter, and color filters | DAINIPPON INK & CHEMICALS | 2012-09-12 | — | — | CN | disclosed |