⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5872674 | 0.81 | — | — | |
| SCHEMBL820363 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL820036 | 0.79 | — | — | |
| SCHEMBL2529877 | 0.79 | — | — | |
| SCHEMBL394876 | 0.79 | — | — | |
| SCHEMBL8203375 | 0.76 | — | — | |
| SCHEMBL6469964 | 0.75 | — | — | |
| SCHEMBL4466990 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL394877 | 0.74 | — | — | |
| SCHEMBL8606783 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001098374-A2 | PROCESS OF PRODUCING SELF-SUPPORTED CATALYSTS | ALBEMARLE CORPORATION (US) | 2001-12-27 | — | — | WO | disclosed |