⚠ 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 SCHEMBL3312214 | 0.94 | CA1 (0.67) | — | |
| SCHEMBL1560310 | 0.94 | CA1 (0.86) | — | |
| Ammonia Solution, Strong SCHEMBL1312142 | 0.94 | — | — | |
| SCHEMBL121695 | 0.94 | — | — | |
| SCHEMBL5382582 | 0.94 | — | — | |
| SCHEMBL15864291 | 0.88 | CA1 (0.75) | — | |
| SCHEMBL15864274 | 0.88 | CA1 (0.75) | — | |
| SCHEMBL15864347 | 0.88 | CA1 (0.75) | — | |
| SCHEMBL3243495 | 0.88 | CA1 (0.75) | — | |
| SCHEMBL16703451 | 0.88 | — | — |
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-0551927-B1 | Method for the treatment of cardiac insufficiency | HOECHST AG (DE) | 1998-09-23 | — | — | EP | disclosed |
| US-5102756-A | Camera speed printing plate with in situ mask | XEROX CORPORATION (US) | 1992-04-07 | — | — | US | disclosed |