⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64765 | 0.97 | — | — | |
| Methoxymethane SCHEMBL1476203 | 0.94 | ALDH1A1 (0.43) | — | |
| Water SCHEMBL27934281 | 0.94 | ALDH1A1 (0.43) | — | |
| SCHEMBL28320588 | 0.94 | — | — | |
| Ethylene Glycol SCHEMBL28232976 | 0.94 | ALDH1A1 (0.43) | — | |
| Alcohol SCHEMBL7098336 | 0.92 | ALDH1A1 (0.48) | — | |
| Acetone SCHEMBL28265166 | 0.87 | ALDH1A1 (0.38) | — | |
| Isopropyl Alcohol SCHEMBL20607574 | 0.87 | TDP1 (0.38) | — | |
| Acetic Acid SCHEMBL865213 | 0.85 | ALDH1A1 (0.36) | — | |
| Isobutanol SCHEMBL1774638 | 0.85 | TSHR (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8911823-B2 | Mechanical sintering of nanoparticle inks and powders | PEN INC. (US) | 2014-12-16 | — | — | US | disclosed |
| WO-2011140085-A1 | MECHANICAL SINTERING OF NANOPARTICLE INKS AND POWDERS | APPLIED NANOTECH HOLDINGS, INC. (US) | 2011-11-10 | — | — | WO | disclosed |