⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1069349 | 0.87 | MAOA (0.34) | — | |
| SCHEMBL1758912 | 0.84 | — | — | |
| SCHEMBL1606368 | 0.82 | MAOA (0.37) | — | |
| SCHEMBL11681048 | 0.82 | MAOA (0.33) | — | |
| SCHEMBL6697042 | 0.77 | KIF11 (0.34) | — | |
| SCHEMBL707984 | 0.77 | LTA4H (0.32) | — | |
| SCHEMBL647736 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL8575942 | 0.76 | HTR1B (0.35) | — | |
| SCHEMBL4738095 | 0.75 | TLR8 (0.33) | — | |
| SCHEMBL703455 | 0.74 | LTA4H (0.36) | — |
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-0043127-A1 | Water-resistant polyacrylate-latex sealants and process for preparing the same | UNION CARBIDE CORPORATION (US) | 1982-01-06 | — | — | EP | disclosed |