⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8894866 | 0.80 | — | — | |
| SCHEMBL11123806 | 0.80 | EPHX1 (0.40) | — | |
| SCHEMBL6363154 | 0.76 | — | — | |
| SCHEMBL124179 | 0.76 | — | — | |
| SCHEMBL14446732 | 0.75 | EPHX1 (0.37) | — | |
| SCHEMBL15670607 | 0.73 | — | — | |
| SCHEMBL9065833 | 0.73 | — | — | |
| Lithium SCHEMBL669188 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL30777463 | 0.73 | — | — | |
| SCHEMBL9913287 | 0.73 | EPHX1 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5612382-A | Composition for percutaneous absorption of pharmaceutically active ingredients | Fike, Frances B. (US) | 1997-03-18 | — | — | US | claimed |
| CN-115433421-A | Modified PVA composite antibacterial packaging film and preparation method thereof | 中山火炬职业技术学院 | 2022-12-06 | — | — | CN | disclosed |
| US-5612382-A | Composition for percutaneous absorption of pharmaceutically active ingredients | Fike, Frances B. (US) | 1997-03-18 | — | — | US | disclosed |