⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8641998 | 0.88 | — | — | |
| SCHEMBL9011870 | 0.85 | — | — | |
| SCHEMBL8640382 | 0.83 | — | — | |
| SCHEMBL30434679 | 0.73 | — | — | |
| SCHEMBL28795124 | 0.73 | — | — | |
| SCHEMBL6033245 | 0.71 | — | — | |
| SCHEMBL8644791 | 0.70 | — | — | |
| SCHEMBL30526267 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL30801356 | 0.69 | — | — | |
| SCHEMBL28499236 | 0.69 | TSHR (0.35) | — |
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-4061642-A | AZO DYE INTERMEDIATES | CASSELLA FARBWERKE MAINKUR AG (DT) | 1977-12-06 | — | — | US | disclosed |
| US-3980659-A | INSECTICIDES, INTERMEDIATES FOR AZO DYES | CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) | 1976-09-14 | — | — | US | disclosed |
| US-3956294-A | AZO DYES, PESTICIDES, ANALEPTICS, ANALGESICS, DIURETICS | CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) | 1976-05-11 | — | — | US | disclosed |
| US-3954782-A | 2,6-Hydrazino-3-pyridine carboxyamides | CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) | 1976-05-04 | — | — | US | disclosed |
| US-3947463-A | Certain 2-amino-nicotinonitrile derivatives | CASSELLA FARBWERKE MAINKUR AG (DT) | 1976-03-30 | — | — | US | disclosed |
| US-3946024-A | INTERMEDIATES FOR AZO DYES | CASSELLA FARBWERKE MAINKUR AG (DT) | 1976-03-23 | — | — | US | disclosed |