⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7070698 | 0.91 | — | — | |
| SCHEMBL28444080 | 0.83 | — | — | |
| SCHEMBL8578684 | 0.82 | — | — | |
| SCHEMBL21519848 | 0.81 | — | — | |
| SCHEMBL6907555 | 0.81 | — | — | |
| SCHEMBL7078698 | 0.81 | — | — | |
| SCHEMBL5690940 | 0.81 | — | — | |
| SCHEMBL6129143 | 0.81 | — | — | |
| SCHEMBL3185704 | 0.81 | — | — | |
| SCHEMBL11311461 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6730353-B2 | MIXING AN ALIPHATIC POLYISOCYANATE, SUCH AS A HEXAMETHYLENE DIISOCYANATE, AND A POLYAMINE, SUCH AS A POLYOXYPROPYLENEDIAMINE, AND APPLYING THE MIXTURE AS SAID COATING TO SAID SURFACE TO EFFECT REACTION | E. WOOD LIMITED (GB) | 2004-05-04 | — | — | US | disclosed |
| US-20020045006-A1 | Coating for drinking water pipelines | 3M INNOVATIVE PROPERTIES COMPANY | 2002-04-18 | — | — | US | disclosed |
| EP-1179574-A1 | Coating for drinking water pipelines | E. Wood Limited (GB) | 2002-02-13 | — | — | EP | disclosed |