⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28153137 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL28837678 | 0.70 | — | — | |
| SCHEMBL6364296 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL2991563 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL27662121 | 0.62 | CES1 (0.38) | — | |
| SCHEMBL898886 | 0.61 | — | — | |
| SCHEMBL2122905 | 0.60 | — | — | |
| SCHEMBL59206 | 0.59 | — | — | |
| SCHEMBL28021621 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL4453813 | 0.59 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5439998-A | Water and oil repellent | ELF ATOCHEM (FR) | 1995-08-08 | — | — | US | claimed |