⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29748857 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29688936 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL29689540 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL29914641 | 0.66 | — | — | |
| SCHEMBL30918937 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL29695758 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL30741684 | 0.62 | — | — | |
| SCHEMBL31013358 | 0.61 | — | — | |
| SCHEMBL29870249 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL8422917 | 0.59 | — | — |
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-3583137-B1 | HAFNOCENE CATALYST COMPOUNDS AND PROCESS FOR USE THEREOF | EXXONMOBIL CHEMICAL PATENTS INC (US) | 2024-05-29 | — | — | EP | disclosed |