⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8894589 | 0.80 | — | — | |
| SCHEMBL11123806 | 0.80 | EPHX1 (0.40) | — | |
| SCHEMBL6363154 | 0.76 | — | — | |
| SCHEMBL124179 | 0.76 | — | — | |
| SCHEMBL14446732 | 0.75 | EPHX1 (0.37) | — | |
| SCHEMBL2825781 | 0.73 | — | — | |
| SCHEMBL9913287 | 0.73 | EPHX1 (0.40) | — | |
| Lithium SCHEMBL669188 | 0.73 | — | — | |
| SCHEMBL15670607 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL30777463 | 0.73 | — | — |
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 4 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 |
| US-8951999-B2 | Compounds | OREXO AB (SE) | 2015-02-10 | — | — | US | disclosed |
| US-20110263556-A1 | New Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-27 | — | — | US | disclosed |
| US-5612382-A | Composition for percutaneous absorption of pharmaceutically active ingredients | Fike, Frances B. (US) | 1997-03-18 | — | — | US | disclosed |