⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6151632 | 0.72 | ALDH1A1 (0.35) | — | |
| 1,4-Butanediol SCHEMBL17186662 | 0.64 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL4511166 | 0.63 | — | — | |
| SCHEMBL4511167 | 0.61 | — | — | |
| SCHEMBL4496796 | 0.61 | — | — | |
| SCHEMBL4496792 | 0.61 | — | — | |
| SCHEMBL7442539 | 0.59 | — | — | |
| SCHEMBL9062588 | 0.59 | — | — | |
| SCHEMBL246211 | 0.59 | — | — | |
| SCHEMBL246210 | 0.59 | — | — |
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-2023075540-A1 | ZIF-8 ORGANOMETALLIC FRAME CATALYST COMPOSITE, AND CARBON DIOXIDE CONVERSION METHOD USING SAME | 고려대학교 산학협력단 | 2023-05-04 | — | — | WO | disclosed |