⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14317661 | 0.85 | — | — | |
| SCHEMBL2740537 | 0.82 | HTT (0.30) | — | |
| SCHEMBL16317864 | 0.82 | HTT (0.30) | — | |
| SCHEMBL25618437 | 0.82 | HTT (0.30) | — | |
| SCHEMBL25678807 | 0.82 | HTT (0.30) | — | |
| SCHEMBL12672073 | 0.74 | — | — | |
| SCHEMBL262378 | 0.74 | — | — | |
| SCHEMBL24349201 | 0.67 | — | — | |
| SCHEMBL20988025 | 0.67 | — | — | |
| SCHEMBL18773663 | 0.67 | — | — |
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-2017195428-A1 | NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, PRINTING INK, AND PRINTED MATTER USING PRINTING INK | DIC株式会社 | 2017-11-16 | — | — | WO | disclosed |