⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21610399 | 0.69 | — | — | |
| SCHEMBL14648366 | 0.64 | — | — | |
| SCHEMBL18867154 | 0.63 | — | — | |
| SCHEMBL13115855 | 0.59 | SLC18A2 (0.31) | — | |
| SCHEMBL13634410 | 0.59 | SLC18A2 (0.31) | — | |
| SCHEMBL25954928 | 0.54 | ALDH1A1 (0.32) | — | |
| SCHEMBL1763389 | 0.52 | ALDH1A1 (0.33) | — | |
| SCHEMBL1762947 | 0.52 | ALDH1A1 (0.33) | — | |
| SCHEMBL8318799 | 0.52 | — | — | |
| SCHEMBL17987158 | 0.52 | — | — |
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-2021236779-A1 | COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY | RODEO THERAPEUTICS CORPORATION (US) | 2021-11-25 | — | — | WO | disclosed |