⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2072721 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL2340706 | 0.85 | — | — | |
| SCHEMBL6052977 | 0.72 | — | — | |
| SCHEMBL5599456 | 0.68 | TSHR (0.46) | — | |
| Vinyl Chloride SCHEMBL5341581 | 0.68 | — | — | |
| SCHEMBL4932377 | 0.68 | — | — | |
| SCHEMBL1070769 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL9472204 | 0.67 | — | — | |
| SCHEMBL27559034 | 0.67 | — | — | |
| SCHEMBL14730279 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1948700-A2 | PREPARATION OF FUNCTIONALIZED CATIONIC POLYMERS AND THEIR PREPARATION AND APPLICATION IN PERSONAL CARE | Ciba Holding Inc. (CH) | 2008-07-30 | — | — | EP | claimed |
| US-20070185281-A1 | Preparation of functionalized cationic polymers & their application in personal care | BASF SE (DE) | 2007-08-09 | — | — | US | claimed |
| WO-2007054468-A2 | PREPARATION OF FUNCTIONALIZED CATIONIC POLYMERS AND THEIR PREPARATION AND APPLICATION IN PERSONAL CARE | CIBA HOLDING INC. (CH) | 2007-05-18 | — | — | WO | claimed |