⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31355523 | 0.89 | — | — | |
| SCHEMBL31355496 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL29390754 | 0.81 | — | — | |
| SCHEMBL28759366 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL15879369 | 0.81 | — | — | |
| SCHEMBL25951408 | 0.81 | — | — | |
| SCHEMBL21433895 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL15641884 | 0.80 | — | — | |
| SCHEMBL28878610 | 0.77 | — | — | |
| SCHEMBL28350544 | 0.77 | — | — |
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-11352376-B2 | Catalysts | BOREALIS AG (AT) | 2022-06-07 | — | — | US | disclosed |