⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5839675 | 0.78 | — | — | |
| SCHEMBL10863560 | 0.74 | — | — | |
| SCHEMBL10614431 | 0.70 | ESR1 (0.40) | — | |
| SCHEMBL25363037 | 0.70 | TRPA1 (0.37) | — | |
| SCHEMBL17476655 | 0.70 | CYP3A4 (0.38) | — | |
| SCHEMBL20590549 | 0.65 | ACHE (0.43) | — | |
| SCHEMBL7409985 | 0.65 | CA12 (0.47) | — | |
| SCHEMBL6635343 | 0.62 | CA1 (0.38) | — | |
| SCHEMBL29457565 | 0.61 | TRPA1 (0.53) | — | |
| SCHEMBL68013 | 0.61 | TRPA1 (0.53) | — |
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-2003058218-A1 | FLUROMETRIC MONITORING AND CONTROL OF SOLUBLE HARDNESS OF WATER USED IN INDUSTRIAL WATER SYSTEMS | ONDEO NALCO COMPANY (US) | 2003-07-17 | — | — | WO | claimed |
| WO-2003058218-A1 | FLUROMETRIC MONITORING AND CONTROL OF SOLUBLE HARDNESS OF WATER USED IN INDUSTRIAL WATER SYSTEMS | ONDEO NALCO COMPANY (US) | 2003-07-17 | — | — | WO | disclosed |
| EP-0538011-B1 | Lipophilic oligosaccharide antibiotic salt compositions | SCHERING CORP (US) | 1997-07-30 | — | — | EP | disclosed |
| US-5624914-A | EVERNINOMYCINS, CYCLODEXTRAN DERIVATIVE, NONIONIC SURFACTANT | SCHERING CORPORATION (US) | 1997-04-29 | — | — | US | disclosed |
| EP-0610295-A1 | LIPOPHILIC OLIGOSACCHARIDE ANTIBIOTIC SALT COMPOSITIONS | SCHERING CORPORATION (US) | 1994-08-17 | — | — | EP | disclosed |
| WO-1993007904-A1 | LIPOPHILIC OLIGOSACCHARIDE ANTIBIOTIC SALT COMPOSITIONS | SCHERING CORPORATION (US) | 1993-04-29 | — | — | WO | disclosed |
| EP-0538011-A1 | Lipophilic oligosaccharide antibiotic salt compositions | SCHERING CORPORATION (US) | 1993-04-21 | — | — | EP | disclosed |