⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23028651 | 0.87 | — | — | |
| SCHEMBL23028564 | 0.79 | CES1 (0.32) | — | |
| SCHEMBL23028649 | 0.78 | ST14 (0.35) | — | |
| SCHEMBL23028652 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL23028560 | 0.76 | CES1 (0.36) | — | |
| SCHEMBL23028561 | 0.74 | CES1 (0.32) | — | |
| SCHEMBL23028562 | 0.73 | CES1 (0.31) | — | |
| SCHEMBL23028654 | 0.72 | ST14 (0.35) | — | |
| SCHEMBL23028688 | 0.68 | — | — | |
| SCHEMBL23028668 | 0.68 | TSHR (0.42) | — |
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-2021034548-A1 | MITOCHONDRIAL MODULATION TO IMPROVE METABOLIC SYNDROME DURING AGING | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2021-02-25 | — | — | WO | disclosed |