⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10888811 | 0.90 | CDC25A (0.31) | — | |
| Ethylene Glycol SCHEMBL6689337 | 0.88 | CA12 (0.31) | — | |
| SCHEMBL28175059 | 0.86 | CDC25A (0.34) | — | |
| SCHEMBL21753746 | 0.83 | CDC25A (0.30) | — | |
| Alcohol SCHEMBL17821477 | 0.82 | EPHX1 (0.41) | — | |
| SCHEMBL413332 | 0.81 | CA1 (0.33) | — | |
| SCHEMBL7535518 | 0.81 | CA1 (0.33) | — | |
| SCHEMBL36508 | 0.81 | — | — | |
| SCHEMBL411310 | 0.81 | CA1 (0.33) | — | |
| Trolamine SCHEMBL5836119 | 0.79 | CYP1A2 (0.31) | — |
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-109153653-A | New compound, Photocurable composition, its solidfied material, printing ink and the printed article for having used the printing ink | DIC株式会社 | 2019-01-04 | — | — | CN | disclosed |