⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9327880 | 0.67 | — | — | |
| SCHEMBL4723574 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL4723158 | 0.62 | KDM4E (0.35) | — | |
| SCHEMBL8922905 | 0.58 | — | — | |
| SCHEMBL4720218 | 0.54 | — | — | |
| SCHEMBL17103231 | 0.54 | — | — | |
| SCHEMBL17103363 | 0.54 | — | — | |
| SCHEMBL22615472 | 0.52 | — | — | |
| SCHEMBL4721988 | 0.52 | ALDH1A1 (0.35) | — | |
| SCHEMBL22594468 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5290922-A | Disazo compounds containing a cyanoamidotriazinyl radical as a bridging member (middle component) and fiber-reactive groups of the vinylsulfone series, suitable as dyestuffs | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-03-01 | — | — | US | disclosed |