⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8980019 | 0.85 | — | — | |
| SCHEMBL7760484 | 0.81 | — | — | |
| SCHEMBL179830 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7828492 | 0.79 | — | — | |
| SCHEMBL7839277 | 0.77 | — | — | |
| SCHEMBL9337359 | 0.73 | — | — | |
| SCHEMBL9171004 | 0.73 | CYP2C19 (0.35) | — | |
| SCHEMBL8480622 | 0.72 | — | — | |
| SCHEMBL8082063 | 0.72 | — | — | |
| SCHEMBL7838213 | 0.72 | CA1 (0.36) | — |
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-5256776-A | Brilliant green dyeings; fiber reactive | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-10-26 | — | — | US | disclosed |