⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6399604 | 0.98 | — | — | |
| SCHEMBL7535241 | 0.70 | — | — | |
| SCHEMBL2907314 | 0.69 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6698163 | 0.68 | — | — | |
| SCHEMBL28256384 | 0.68 | SPHK1 (0.31) | — | |
| SCHEMBL6250606 | 0.67 | — | — | |
| SCHEMBL6303309 | 0.67 | — | — | |
| SCHEMBL6053802 | 0.67 | — | — | |
| SCHEMBL4811799 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6235831 | 0.67 | SPHK1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110770265-A | Catalyst system and method of use thereof | 埃克森美孚化学专利公司 | 2020-02-07 | — | — | CN | claimed |
| CN-110770265-B | Catalyst system and method of use thereof | 尤尼威蒂恩技术有限责任公司 | 2023-05-05 | — | — | CN | disclosed |
| US-20020156208-A1 | Olefin polymerization process with alkyl-substituted metallocenes | EXXONMOBIL CHEMICAL PATENTS, INC. | 2002-10-24 | — | — | US | disclosed |