⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8556438 | 1.00 | — | — | |
| SCHEMBL9257580 | 0.81 | FFAR3 (0.35) | — | |
| SCHEMBL8562764 | 0.75 | — | — | |
| SCHEMBL8559357 | 0.73 | — | — | |
| SCHEMBL8559355 | 0.73 | — | — | |
| SCHEMBL24224437 | 0.69 | — | — | |
| SCHEMBL8019169 | 0.67 | — | — | |
| SCHEMBL18087618 | 0.67 | — | — | |
| SCHEMBL7408676 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL4669593 | 0.67 | ALDH1A1 (0.50) | — |
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-0848015-A1 | Catalyst for the production of functionalized polymers | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-06-17 | — | — | EP | disclosed |