⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32702 | 1.00 | — | — | |
| SCHEMBL27892635 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28283062 | 0.82 | — | — | |
| SCHEMBL28253607 | 0.82 | — | — | |
| SCHEMBL28654485 | 0.82 | — | — | |
| Phosphine SCHEMBL27561025 | 0.82 | — | — | |
| SCHEMBL29895988 | 0.71 | — | — | |
| SCHEMBL1326034 | 0.71 | — | — | |
| SCHEMBL906520 | 0.71 | — | — | |
| SCHEMBL31359158 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892602-A1 | METHOD FOR THE PREPARATION OF DEUTERATED OR TRITIATED COMPOUNDS | Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) | 2021-10-13 | — | — | EP | disclosed |