⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4601917 | 0.61 | — | — | |
| SCHEMBL27917970 | 0.54 | — | — | |
| SCHEMBL27871279 | 0.54 | — | — | |
| SCHEMBL3865427 | 0.54 | CA5A (0.31) | — | |
| SCHEMBL1286341 | 0.54 | — | — | |
| Sulfuric Acid SCHEMBL27291025 | 0.53 | — | — | |
| Acetonitrile SCHEMBL955359 | 0.52 | — | — | |
| Acetonitrile SCHEMBL8753021 | 0.52 | — | — | |
| Acetonitrile SCHEMBL27640803 | 0.52 | CA2 (0.41) | — | |
| Sulfuric Acid SCHEMBL11044629 | 0.52 | CA5A (0.75) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-8104822-A | — | — | None | — | — | JP | disclosed |
| JP-H08104822-A | REACTIVE DYESTUFF COMPOSITION AND METHOD FOR DYEING WITH THE SAME | DAISUTAA JAPAN KK | 1996-04-23 | — | — | JP | disclosed |