⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4511207 | 0.80 | — | — | |
| SCHEMBL443371 | 0.80 | — | — | |
| SCHEMBL113032 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL9396819 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL17669853 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL9520449 | 0.78 | — | — | |
| Oxazolidine SCHEMBL3698244 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL323385 | 0.71 | — | — | |
| SCHEMBL27540900 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2673263 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120157548-A1 | USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES | BASF SE (DE) | 2012-06-21 | — | — | US | disclosed |
| US-20120152149-A1 | USE OF 1,3-DIOLS AS BIOCIDES | BASF SE (DE) | 2012-06-21 | — | — | US | disclosed |
| US-7258702-B2 | Yellow cationic dyes for dyeing of organic material | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2007-08-21 | — | — | US | disclosed |
| US-20070124872-A1 | Method of coloring with capped diazotized compound and coupling component | CIBA SPECIALTY CHEMICALS CORP. | 2007-06-07 | — | — | US | disclosed |
| US-20050120493-A1 | Process for exchanging the anions of cationic compounds | CIBA SPECIALTY CHEMICALS CORP. | 2005-06-09 | — | — | US | disclosed |
| US-20050000034-A1 | Yellow cationic dyes for dyeing of organic material | CIBA SPECIALTY CHEMICALS CORPORATION | 2005-01-06 | — | — | US | disclosed |