⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL139829 | 0.91 | — | — | |
| SCHEMBL610641 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL17579578 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL54548 | 0.88 | ALDH1A1 (0.31) | — | |
| Methyl Alcohol SCHEMBL28181417 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL2638646 | 0.85 | — | — | |
| SCHEMBL11374254 | 0.85 | — | — | |
| Trimethylammonium SCHEMBL8539499 | 0.84 | — | — | |
| Alcohol SCHEMBL27865545 | 0.84 | — | — | |
| SCHEMBL6270857 | 0.82 | — | — |
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-2008053236-A1 | POLYMER COMPOSITIONS | WORLD MINERALS, INC. (US) | 2008-05-08 | — | — | WO | claimed |