⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL790495 | 1.00 | ALOX15 (0.63) | — | |
| SCHEMBL17210 | 1.00 | — | — | |
| Ethylenediamine SCHEMBL15190578 | 0.97 | ALOX15 (0.60) | — | |
| Piperazine SCHEMBL2476163 | 0.97 | ALOX15 (0.60) | — | |
| Ammonia Solution, Strong SCHEMBL1531194 | 0.97 | ALOX15 (0.60) | — | |
| Bromide SCHEMBL7773479 | 0.97 | ALOX15 (0.60) | — | |
| Hydrochloric Acid SCHEMBL3668255 | 0.97 | ALOX15 (0.60) | — | |
| SCHEMBL4368013 | 0.97 | ALOX15 (0.60) | — | |
| SCHEMBL9349784 | 0.97 | ALOX15 (0.68) | — | |
| Ammonia Solution, Strong SCHEMBL6518788 | 0.97 | ALOX15 (0.60) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0632104-B1 | Basic azodyes | BAYER AG (DE) | 1997-08-06 | — | — | EP | disclosed |
| US-4509948-A | Cationic mono- and dis-azo dyestuffs, and their preparation and use for dyeing paper and cationic dyeable substrates | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-09 | — | — | US | disclosed |