⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL233802 | 0.96 | — | — | |
| Potassium SCHEMBL30505638 | 0.92 | — | — | |
| SCHEMBL27533390 | 0.92 | — | — | |
| SCHEMBL27684822 | 0.92 | — | — | |
| Methane SCHEMBL3831913 | 0.92 | — | — | |
| SCHEMBL3693543 | 0.92 | — | — | |
| SCHEMBL27977395 | 0.92 | — | — | |
| SCHEMBL28992245 | 0.92 | — | — | |
| SCHEMBL2292727 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL27599198 | 0.92 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070098653-A1 | Non-aqueous liquid composition having ultraviolet-absorbing capability | TAISEI FINE CHEMICAL CO., LTD. (JP) | 2007-05-03 | — | — | US | disclosed |
| US-4546106-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1985-10-08 | — | — | US | disclosed |
| US-4355034-A | Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents | MERCK & CO., INC. (US) | 1982-10-19 | — | — | US | disclosed |
| US-4217352-A | ANTIARTHRITIC AGENT | MERCK & CO., INC. (US) | 1980-08-12 | — | — | US | disclosed |
| US-4144342-A | ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1979-03-13 | — | — | US | disclosed |
| US-4061759-A | ANTIINFLAMMATORY, ARTHRITIS | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |