⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8600550 | 0.72 | — | — | |
| SCHEMBL8600554 | 0.72 | — | — | |
| SCHEMBL8601849 | 0.69 | — | — | |
| SCHEMBL8601851 | 0.69 | — | — | |
| SCHEMBL2093 | 0.67 | — | — | |
| SCHEMBL687700 | 0.67 | — | — | |
| SCHEMBL2094 | 0.67 | — | — | |
| SCHEMBL2334964 | 0.67 | — | — | |
| SCHEMBL6657788 | 0.67 | — | — | |
| Bromide SCHEMBL6305657 | 0.67 | — | — |
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-118527068-A | Tubular reactor capable of continuously producing Grignard reagent | 吉林化工学院 | 2024-08-23 | — | — | CN | disclosed |
| US-5559258-A | Ethylenically unsaturated bile acid derivatives, processes for their preparation and precursors | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-09-24 | — | — | US | disclosed |
| US-4002691-A | Polycyclic compounds | ETHYL CORPORATION (US) | 1977-01-11 | — | — | US | disclosed |