⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9826147 | 0.64 | — | — | |
| SCHEMBL19357505 | 0.63 | SLC6A2 (0.32) | — | |
| SCHEMBL19357453 | 0.63 | SLC6A2 (0.32) | — | |
| SCHEMBL20672076 | 0.59 | — | — | |
| SCHEMBL19357551 | 0.58 | HTR2A (0.31) | — | |
| SCHEMBL19357475 | 0.56 | MEN1 (0.36) | — | |
| SCHEMBL19918848 | 0.56 | TSHR (0.38) | — | |
| SCHEMBL19382291 | 0.54 | ALDH1A1 (0.33) | — | |
| SCHEMBL14826570 | 0.54 | NPC1 (0.32) | — | |
| SCHEMBL19357443 | 0.54 | ALDH1A1 (0.33) | — |
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-2020081143-A1 | NOVEL PYRROLE AND PYRIDONE DERIVATIVES AND USES THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2020-04-23 | — | — | WO | disclosed |