⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11832991 | 0.88 | HRH3 (0.41) | — | |
| SCHEMBL1228572 | 0.86 | HCAR2 (0.37) | — | |
| SCHEMBL20734524 | 0.84 | GPR84 (0.39) | — | |
| SCHEMBL1923075 | 0.82 | — | — | |
| SCHEMBL7026720 | 0.76 | HMGCR (0.31) | — | |
| SCHEMBL6850572 | 0.76 | — | — | |
| Bromide SCHEMBL28162241 | 0.74 | HMGCR (0.31) | — | |
| SCHEMBL20927578 | 0.74 | ATM (0.34) | — | |
| SCHEMBL28257536 | 0.74 | — | — | |
| SCHEMBL17033121 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0544705-A1 | DERIVATIVES OF MUPIROCIN | Beecham Group p.l.c. (GB) | 1993-06-09 | — | — | EP | disclosed |
| WO-1992002518-A1 | DERIVATIVES OF MUPIROCIN | BEECHAM GROUP PLC (GB) | 1992-02-20 | — | — | WO | disclosed |
| US-3957480-A | HERBICIDES | THE UPJOHN COMPANY (US) | 1976-05-18 | — | — | US | disclosed |