⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4924526 | 0.67 | — | — | |
| SCHEMBL11146118 | 0.67 | — | — | |
| SCHEMBL11314725 | 0.67 | — | — | |
| SCHEMBL27457767 | 0.63 | — | — | |
| SCHEMBL17922821 | 0.61 | — | — | |
| SCHEMBL23254 | 0.61 | — | — | |
| SCHEMBL4905647 | 0.61 | — | — | |
| SCHEMBL12275731 | 0.61 | — | — | |
| SCHEMBL1192482 | 0.61 | — | — | |
| SCHEMBL107996 | 0.60 | TSHR (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017494-A1 | HYDROFORMYLATION PROCESS USING NOVEL PHOSPHITE-METAL CATALYST SYSTEM | EASTMAN CHEMICAL COMPANY (US) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999013984-A1 | HYDROFORMYLATION PROCESS USING NOVEL PHOSPHITE-METAL CATALYST SYSTEM | EASTMAN CHEMICAL COMPANY (US) | 1999-03-25 | — | — | WO | disclosed |