⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1550237 | 0.96 | — | — | |
| SCHEMBL11291197 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL11024044 | 0.92 | — | — | |
| SCHEMBL8711126 | 0.86 | — | — | |
| Trimethylammonium SCHEMBL7538093 | 0.86 | — | — | |
| SCHEMBL2836919 | 0.81 | HCAR2 (0.30) | — | |
| SCHEMBL6866380 | 0.79 | — | — | |
| SCHEMBL28794967 | 0.78 | — | — | |
| SCHEMBL440671 | 0.76 | — | — | |
| SCHEMBL22313618 | 0.76 | — | — |
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-119192435-A | Supported metallocene catalyst and preparation method and application thereof | 北京国达恒泰科贸有限责任公司 | 2024-12-27 | — | — | CN | disclosed |
| CN-117430738-A | Catalyst component for olefin polymerization, catalyst and application thereof | 中国石油化工股份有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-117430737-A | Catalyst component for olefin polymerization, catalyst and application thereof | 中国石油化工股份有限公司 | 2024-01-23 | — | — | CN | disclosed |