⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3094397 | 0.76 | — | — | |
| SCHEMBL9820088 | 0.76 | GAA (0.42) | — | |
| SCHEMBL10956667 | 0.76 | — | — | |
| SCHEMBL973501 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL27688964 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL812117 | 0.74 | GAA (0.44) | — | |
| SCHEMBL144976 | 0.74 | GAA (0.44) | — | |
| SCHEMBL202085 | 0.74 | — | — | |
| SCHEMBL11804460 | 0.74 | — | — | |
| SCHEMBL2180508 | 0.74 | GAA (0.39) | — |
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-8754253-B2 | Process to obtain a mixture of lower carboxylic mono, di and triesters from raw glycerin | RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) | 2014-06-17 | — | — | US | disclosed |
| US-20120178960-A1 | PROCESS TO OBTAIN A MIXTURE OF LOWER CARBOXYLIC MONO, DI AND TRIESTERS FROM RAW GLYCERIN | RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) | 2012-07-12 | — | — | US | disclosed |