⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5671452 | 0.69 | — | — | |
| SCHEMBL1310784 | 0.69 | — | — | |
| SCHEMBL27876765 | 0.67 | CYP1A2 (0.40) | — | |
| SCHEMBL10366084 | 0.66 | GLA (0.35) | — | |
| SCHEMBL30777938 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL5926320 | 0.65 | ADRA2B (0.34) | — | |
| SCHEMBL27299264 | 0.64 | — | — | |
| SCHEMBL5310883 | 0.62 | DAO (0.47) | — | |
| SCHEMBL392004 | 0.61 | — | — | |
| SCHEMBL4851805 | 0.61 | NOTUM (0.38) | — |
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-0130711-B1 | AQUEOUS SOLUTIONS OF REACTIVE DYES | ICI AMERICAS INC. (US) | 1987-02-11 | — | — | EP | claimed |
| EP-0130711-A2 | Aqueous solutions of reactive dyes | ICI AMERICAS INC. (US) | 1985-01-09 | — | — | EP | claimed |
| US-4472168-A | STORAGE STABILITY BUFFERED SOLUTIONS | ICI AMERICAS INC. (US) | 1984-09-18 | — | — | US | claimed |