⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1021274 | 0.67 | S100A4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL31127657 | 0.66 | S100A4 (0.40) | — | |
| SCHEMBL19423556 | 0.66 | S100A4 (0.40) | — | |
| SCHEMBL15405526 | 0.66 | S100A4 (0.40) | — | |
| SCHEMBL4892384 | 0.64 | — | — | |
| SCHEMBL11105462 | 0.62 | — | — | |
| Sulfuric Acid SCHEMBL11007507 | 0.61 | TDP1 (0.39) | — | |
| Formic Acid SCHEMBL31127654 | 0.61 | CDC25B (0.36) | — | |
| SCHEMBL4371910 | 0.59 | — | — | |
| SCHEMBL8791995 | 0.57 | CES1 (0.54) | — |
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-0669191-A1 | A biocide composition for the treatment of timber | TIMBERQUEST INTERNATIONAL (PTY) LTD (SA) | 1995-08-30 | — | — | EP | claimed |