⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27651209 | 0.60 | HSP90AA1 (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL20919221 | 0.60 | HSP90AA1 (0.56) | — | |
| SCHEMBL11288695 | 0.58 | HSP90AB1 (0.37) | — | |
| SCHEMBL879566 | 0.57 | — | — | |
| SCHEMBL91470 | 0.55 | — | — | |
| SCHEMBL31330805 | 0.55 | — | — | |
| SCHEMBL9332355 | 0.55 | — | — | |
| SCHEMBL94556 | 0.54 | — | — | |
| SCHEMBL13744834 | 0.54 | — | — | |
| SCHEMBL2871343 | 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 |
|---|---|---|---|---|---|---|---|
| US-4425155-A | 1,2,4-TRIAZINES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-01-10 | — | — | US | disclosed |