⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1955819 | 0.90 | EPHX1 (0.31) | — | |
| SCHEMBL30804780 | 0.86 | — | — | |
| SCHEMBL1516363 | 0.82 | EPHX1 (0.33) | — | |
| SCHEMBL3454423 | 0.82 | — | — | |
| SCHEMBL2570832 | 0.78 | — | — | |
| SCHEMBL440173 | 0.77 | NPC1 (0.32) | — | |
| SCHEMBL1764512 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL11911170 | 0.74 | — | — | |
| SCHEMBL2573724 | 0.74 | — | — | |
| SCHEMBL2572659 | 0.74 | TSHR (0.30) | — |
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-1876211-B1 | Ink composition, inkjet recording method, printed material, method of producing planographic printing plate, and planographic printing plate | FUJIFILM CORP (JP) | 2016-10-19 | — | — | EP | disclosed |