⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3695016 | 0.81 | L3MBTL1 (0.30) | — | |
| SCHEMBL18214810 | 0.77 | — | — | |
| SCHEMBL14446900 | 0.74 | MAPT (0.36) | — | |
| SCHEMBL17544817 | 0.72 | — | — | |
| SCHEMBL21718562 | 0.66 | CNR2 (0.33) | — | |
| SCHEMBL22487924 | 0.64 | CNR2 (0.31) | — | |
| SCHEMBL65108 | 0.64 | — | — | |
| SCHEMBL13316292 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL7285171 | 0.62 | — | — | |
| SCHEMBL7715835 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200306253-A1 | Therapeutic Modulators of the Reverse Mode of ATP Synthase | FORREST MICHAEL DAVID (GB) | 2020-10-01 | — | — | US | disclosed |