⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29035535 | 0.87 | — | — | |
| SCHEMBL29035538 | 0.76 | CYP3A4 (0.31) | — | |
| SCHEMBL24491918 | 0.73 | DPP4 (0.32) | — | |
| SCHEMBL29035541 | 0.72 | — | — | |
| SCHEMBL9292107 | 0.69 | PRKD3 (0.37) | — | |
| SCHEMBL1193150 | 0.69 | — | — | |
| SCHEMBL8675545 | 0.69 | SHBG (0.42) | — | |
| SCHEMBL24728076 | 0.68 | — | — | |
| SCHEMBL18079411 | 0.66 | ACHE (0.32) | — | |
| SCHEMBL576072 | 0.66 | — | — |
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-116829989-A | Photocurable composition, cured product thereof, and optical material containing the cured product | 三菱瓦斯化学株式会社 | 2023-09-29 | — | — | CN | disclosed |