⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10156085 | 0.81 | CYP1A2 (0.44) | — | |
| SCHEMBL9483440 | 0.77 | TDP1 (0.46) | — | |
| SCHEMBL11235758 | 0.75 | CA12 (0.38) | — | |
| SCHEMBL13562971 | 0.74 | LMNA (0.61) | — | |
| SCHEMBL13562968 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL1537657 | 0.74 | LMNA (0.61) | — | |
| SCHEMBL12870911 | 0.73 | CRHR1 (0.46) | — | |
| SCHEMBL6547905 | 0.73 | LMNA (0.59) | — | |
| SCHEMBL13531629 | 0.72 | TSHR (0.52) | — | |
| SCHEMBL13562967 | 0.70 | LMNA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0012341-B1 | ANTHRAQUINONE REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS THAT CONTAIN HYDROXYL OR AMIDE GROUPS | BAYER AG (DE) | 1982-09-08 | — | — | EP | disclosed |
| US-4332938-A | Anthaquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups | BAYER AKTIENGESELLSCHAFT (DE) | 1982-06-01 | — | — | US | disclosed |
| EP-0012341-A1 | Anthraquinone reactive dyestuffs and their use in dyeing materials that contain hydroxyl or amide groups | BAYER AG (DE) | 1980-06-25 | — | — | EP | disclosed |