⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3411437 | 0.72 | — | — | |
| SCHEMBL5159472 | 0.67 | — | — | |
| SCHEMBL5712311 | 0.67 | — | — | |
| SCHEMBL1493594 | 0.67 | — | — | |
| SCHEMBL27775958 | 0.67 | — | — | |
| SCHEMBL17074232 | 0.62 | — | — | |
| SCHEMBL5691408 | 0.61 | — | — | |
| Acetonitrile SCHEMBL28154221 | 0.59 | ALDH1A1 (0.35) | — | |
| SCHEMBL16497380 | 0.56 | — | — | |
| SCHEMBL79143 | 0.56 | — | — |
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-5470715-A | Composition for determination of chloride ion | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 1995-11-28 | — | — | US | disclosed |