⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL67017 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28722063 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL7838270 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL5380824 | 0.76 | — | — | |
| SCHEMBL85728 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL3403575 | 0.76 | — | — | |
| SCHEMBL19928167 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL31019202 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL9328500 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL3434072 | 0.73 | ALDH1A1 (0.39) | — |
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 |