⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL14808976 | 0.67 | — | — | |
| SCHEMBL3779556 | 0.67 | — | — | |
| Iodide SCHEMBL22027429 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL1452733 | 0.63 | — | — | |
| Bromide SCHEMBL22027449 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL925673 | 0.60 | — | — | |
| SCHEMBL152107 | 0.59 | — | — | |
| SCHEMBL29063504 | 0.59 | — | — | |
| SCHEMBL3300416 | 0.59 | — | — | |
| SCHEMBL27746248 | 0.59 | — | — |
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-0920307-A2 | DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM | Roche Diagnostics GmbH (DE) | 1999-06-09 | — | — | EP | disclosed |
| WO-1998006386-A2 | DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM | ROCHE DIAGNOSTICS GMBH (DE) | 1998-02-19 | — | — | WO | disclosed |