⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5489369 | 0.72 | — | — | |
| SCHEMBL11870961 | 0.69 | — | — | |
| SCHEMBL1415224 | 0.67 | — | — | |
| SCHEMBL26134329 | 0.67 | — | — | |
| SCHEMBL166474 | 0.67 | — | — | |
| SCHEMBL6655602 | 0.67 | — | — | |
| SCHEMBL11011278 | 0.67 | — | — | |
| SCHEMBL4148327 | 0.65 | — | — | |
| SCHEMBL9126893 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL2989001 | 0.65 | — | — |
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-20170253893-A1 | RECOMBINANT PRODCUTION SYSTEMS FOR AROMATIC MOLECULES | VIA BIOFUELS, INC. | 2017-09-07 | — | — | US | disclosed |
| US-20140220648-A1 | RECOMBINANT PRODUCTION SYSTEMS FOR AROMATIC MOLECULES | RHO Renewables (US) | 2014-08-07 | — | — | US | disclosed |