⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5491040 | 0.81 | TDP1 (0.39) | — | |
| SCHEMBL954060 | 0.78 | — | — | |
| SCHEMBL15911089 | 0.76 | PGK1 (0.42) | — | |
| SCHEMBL2699115 | 0.73 | TDP1 (0.37) | — | |
| SCHEMBL4450041 | 0.72 | PGK1 (0.39) | — | |
| SCHEMBL30999677 | 0.71 | — | — | |
| SCHEMBL28282188 | 0.71 | TDP1 (0.35) | — | |
| SCHEMBL10036814 | 0.71 | — | — | |
| SCHEMBL9723642 | 0.70 | — | — | |
| SCHEMBL1603860 | 0.70 | — | — |
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-1042078-A1 | PROCESS FOR SEALING COATINGS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032234-A1 | PROCESS FOR SEALING COATINGS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-07-01 | — | — | WO | disclosed |