⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7529535 | 0.91 | ALDH1A1 (0.44) | — | |
| SCHEMBL1438 | 0.91 | — | — | |
| Ethylene SCHEMBL5527 | 0.88 | — | — | |
| Methane SCHEMBL1857106 | 0.88 | — | — | |
| SCHEMBL1919431 | 0.88 | — | — | |
| SCHEMBL25416150 | 0.88 | — | — | |
| Water SCHEMBL404087 | 0.88 | — | — | |
| SCHEMBL11779415 | 0.88 | — | — | |
| SCHEMBL21776861 | 0.88 | — | — | |
| Ethylene SCHEMBL10382764 | 0.88 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070116640-A1 | Titanium dioxide nanorod and preparation method thereof | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2007-05-24 | — | — | US | disclosed |