⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5199042 | 0.84 | CYP2C19 (0.36) | — | |
| SCHEMBL27725661 | 0.77 | — | — | |
| SCHEMBL12804251 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL152055 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL8509569 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL5497968 | 0.73 | — | — | |
| SCHEMBL28506569 | 0.72 | PTGS1 (0.33) | — | |
| SCHEMBL15005422 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL221551 | 0.70 | — | — | |
| SCHEMBL5487919 | 0.70 | — | — |
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-8802346-B2 | Metal compositions and methods of making same | PRYOG, LLC (US) | 2014-08-12 | — | — | US | disclosed |
| US-20110184139-A1 | METAL COMPOSITIONS AND METHODS OF MAKING SAME | PRYOG, LLC | 2011-07-28 | — | — | US | disclosed |