⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10452168 | 0.61 | — | — | |
| SCHEMBL28275764 | 0.50 | — | — | |
| SCHEMBL9459984 | 0.50 | — | — | |
| SCHEMBL9528413 | 0.49 | — | — | |
| SCHEMBL22265035 | 0.49 | — | — | |
| SCHEMBL3991552 | 0.48 | — | — | |
| SCHEMBL10569130 | 0.44 | — | — | |
| Benzoquinone SCHEMBL3729824 | 0.42 | ALDH1A1 (0.50) | — | |
| Benzoquinone SCHEMBL27706562 | 0.41 | TDP1 (0.61) | — | |
| Benzoquinone SCHEMBL28878308 | 0.40 | ALDH1A1 (0.57) | — |
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-2385945-A1 | TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD | Bayer Pharma Aktiengesellschaft (DE) | 2011-11-16 | — | — | EP | disclosed |
| US-8041896-B2 | Virtualization platform with dedicated cache access | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2011-10-18 | — | — | US | disclosed |
| WO-2010078953-A1 | TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-07-15 | — | — | WO | disclosed |