⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7678270 | 0.76 | — | — | |
| SCHEMBL7687684 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7689982 | 0.75 | — | — | |
| SCHEMBL15000428 | 0.75 | KCNH2 (0.43) | — | |
| SCHEMBL7682753 | 0.73 | KCNH2 (0.55) | — | |
| SCHEMBL7685007 | 0.73 | KCNH2 (0.55) | — | |
| SCHEMBL7680622 | 0.73 | KCNH2 (0.55) | — | |
| SCHEMBL7689273 | 0.73 | KCNH2 (0.55) | — | |
| SCHEMBL7684776 | 0.73 | KCNH2 (0.55) | — | |
| SCHEMBL7680515 | 0.73 | KCNH2 (0.55) | — |
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-5488061-A | ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1996-01-30 | — | — | US | claimed |