⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17057 | 0.89 | ALDH1A1 (0.56) | — | |
| Ethylene Glycol SCHEMBL28324853 | 0.86 | ALDH1A1 (0.48) | — | |
| SCHEMBL6934821 | 0.86 | ALDH1A1 (0.53) | — | |
| Hydrogen Peroxide SCHEMBL28922349 | 0.86 | ALDH1A1 (0.53) | — | |
| Ethane SCHEMBL28190088 | 0.86 | ALDH1A1 (0.53) | — | |
| SCHEMBL13465919 | 0.86 | ALDH1A1 (0.53) | — | |
| Fluoride SCHEMBL29068323 | 0.86 | ALDH1A1 (0.53) | — | |
| SCHEMBL6006785 | 0.85 | ALDH1A1 (0.56) | — | |
| SCHEMBL1716859 | 0.84 | ACHE (0.47) | — | |
| Ethyne SCHEMBL165176 | 0.83 | ALDH1A1 (0.50) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997048444-A1 | IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS | BECTON DICKINSON AND COMPANY (US) | 1997-12-24 | — | — | WO | claimed |
| US-8455451-B2 | 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment | GILEAD SCIENCES, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20120009147-A1 | 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. (US) | 2012-01-12 | — | — | US | disclosed |
| EP-0920345-A4 | IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS | VYTERIS INC (US) | 2006-05-10 | — | — | EP | disclosed |
| EP-0920345-A1 | IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS | Becton Dickinson and Company (US) | 1999-06-09 | — | — | EP | disclosed |
| WO-1997048443-A1 | IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS | BECTON DICKINSON AND COMPANY (US) | 1997-12-24 | — | — | WO | disclosed |
| WO-1997048444-A1 | IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS | BECTON DICKINSON AND COMPANY (US) | 1997-12-24 | — | — | WO | disclosed |