⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3441569 | 0.84 | — | — | |
| SCHEMBL64636 | 0.79 | — | — | |
| SCHEMBL91517 | 0.79 | — | — | |
| SCHEMBL132685 | 0.79 | — | — | |
| SCHEMBL21640671 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL15048805 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL15048768 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL8178088 | 0.77 | SLC6A4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL18424739 | 0.77 | SLC6A4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL14719361 | 0.77 | SLC6A4 (0.38) | — |
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-2009110985-A2 | AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF | RENOVIS, INC. (US) | 2009-09-11 | — | — | WO | disclosed |