⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1178749 | 0.78 | — | — | |
| SCHEMBL4100563 | 0.78 | — | — | |
| Thiourea SCHEMBL8177690 | 0.78 | EGLN3 (0.42) | — | |
| SCHEMBL13054779 | 0.75 | MAPT (0.49) | — | |
| SCHEMBL5412057 | 0.75 | MAPT (0.49) | — | |
| SCHEMBL10508172 | 0.73 | EGLN3 (0.45) | — | |
| SCHEMBL7467004 | 0.73 | — | — | |
| SCHEMBL5899076 | 0.73 | EGLN3 (0.55) | — | |
| SCHEMBL4517015 | 0.71 | EGLN3 (0.44) | — | |
| SCHEMBL2825103 | 0.71 | CYP1A2 (0.53) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4380364-A1 | A WOOD PRESERVATIVE COMPOSITION COMPRISING 4,5-DICHLORO-2-OCTYLISOTHIAZOL-3(2H)-ONE, A METHOD TREATING A WOOD SUBSTRATE THEREWITH, AND A WOOD PRODUCT PRODUCED THEREFROM | Koppers Performance Chemicals, Inc. (US) | 2024-06-12 | — | — | EP | disclosed |
| EP-4380365-A1 | A WOOD PRESERVATIVE COMPOSITION COMPRISING 4,5-DICHLORO-2-OCTYLISOTHIAZOL-3(2H)-ONE, A METHOD TREATING A WOOD SUBSTRATE THEREWITH, AND A WOOD PRODUCT PRODUCED THEREFROM | Koppers Performance Chemicals Inc. (US) | 2024-06-12 | — | — | EP | disclosed |
| WO-2023015302-A1 | A WOOD PRESERVATIVE COMPOSITION COMPRISING 4,5-DICHLORO-2-OCTYLISOTHIAZOL-3(2H)-ONE, A METHOD TREATING A WOOD SUBSTRATE THEREWITH, AND A WOOD PRODUCT PRODUCED THEREFROM | KOPPERS PERFORMANCE CHEMICALS, INC. (US) | 2023-02-09 | — | — | WO | disclosed |
| WO-2023015305-A1 | A WOOD PRESERVATIVE COMPOSITION COMPRISING 4,5-DICHLORO-2-OCTYLISOTHIAZOL-3(2H)-ONE, A METHOD TREATING A WOOD SUBSTRATE THEREWITH, AND A WOOD PRODUCT PRODUCED THEREFROM | KOPPERS PERFORMANCE CHEMICALS, INC. (US) | 2023-02-09 | — | — | WO | disclosed |