⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28257099 | 0.94 | — | — | |
| SCHEMBL28111984 | 0.94 | — | — | |
| SCHEMBL29131276 | 0.82 | — | — | |
| SCHEMBL28172553 | 0.74 | — | — | |
| SCHEMBL29176423 | 0.74 | — | — | |
| SCHEMBL28111439 | 0.73 | — | — | |
| SCHEMBL27974913 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL9235952 | 0.70 | — | — | |
| SCHEMBL11850056 | 0.70 | — | — | |
| SCHEMBL1546956 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1311572-B1 | BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE | 3M INNOVATIVE PROPERTIES CO (US) | 2011-12-21 | — | — | EP | disclosed |
| US-7459167-B1 | Biocidal polyurethane compositions and methods of use | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2008-12-02 | — | — | US | disclosed |
| EP-1935911-A1 | Biocidal Polyurethane Compositions and Method of Use | 3M Innovative Properties Company (US) | 2008-06-25 | — | — | EP | disclosed |
| EP-1311572-A2 | BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE | 3M Innovative Properties Company (US) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002010244-A2 | BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2002-02-07 | — | — | WO | disclosed |