⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10572699 | 0.77 | — | — | |
| SCHEMBL11022351 | 0.74 | — | — | |
| SCHEMBL2205724 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8542147 | 0.67 | — | — | |
| SCHEMBL1094925 | 0.67 | — | — | |
| SCHEMBL2466217 | 0.67 | PDPK1 (0.32) | — | |
| SCHEMBL18689764 | 0.64 | DAO (0.41) | — | |
| SCHEMBL5729641 | 0.64 | — | — | |
| SCHEMBL5300456 | 0.64 | — | — | |
| SCHEMBL3219049 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4460585-A | HYPOTENSIVE AGENTS | WILLIAM H. RORER, INC. (US) | 1984-07-17 | — | — | US | disclosed |
| US-4406897-A | 6-Aryl-4-hydrazinyl-s-triazin-2-ones | WILLIAM H. RORER, INC. (US) | 1983-09-27 | — | — | US | disclosed |