⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL60383 | 0.81 | — | — | |
| SCHEMBL7090460 | 0.75 | HSD17B10 (0.43) | — | |
| SCHEMBL3608945 | 0.73 | — | — | |
| SCHEMBL28620277 | 0.71 | — | — | |
| SCHEMBL11281766 | 0.71 | — | — | |
| SCHEMBL468076 | 0.71 | — | — | |
| SCHEMBL4465575 | 0.71 | TDP1 (0.54) | — | |
| SCHEMBL3454769 | 0.71 | KCNH3 (0.31) | — | |
| SCHEMBL28851844 | 0.71 | NPC1 (0.33) | — | |
| SCHEMBL3047414 | 0.70 | — | — |
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-4310551-A | Pharmacologically active substituted 1,2,4-triazines | DIAMOND SHAMROCK CORPORATION (US) | 1982-01-12 | — | — | US | disclosed |
| US-4251527-A | ANTIINFLAMMATORY AGENTS | DIAMOND SHAMROCK CORPORATION (US) | 1981-02-17 | — | — | US | disclosed |