⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5275093 | 0.76 | HMGCR (0.31) | — | |
| SCHEMBL5277085 | 0.76 | KCNJ1 (0.30) | — | |
| SCHEMBL5280320 | 0.76 | KCNJ1 (0.30) | — | |
| SCHEMBL5279141 | 0.72 | — | — | |
| SCHEMBL5277314 | 0.72 | DAGLA (0.34) | — | |
| SCHEMBL5276975 | 0.72 | NOTUM (0.32) | — | |
| SCHEMBL5278040 | 0.71 | KCNJ1 (0.36) | — | |
| SCHEMBL5275312 | 0.70 | MGLL (0.44) | — | |
| SCHEMBL4502875 | 0.61 | — | — | |
| SCHEMBL707611 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1859783-A1 | Brightening and/or colouring agent comprising N, N'-carbonyldiazoles and/or analagogues thereof | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |