⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL773688 | 0.75 | — | — | |
| SCHEMBL456135 | 0.75 | — | — | |
| SCHEMBL7530867 | 0.75 | — | — | |
| SCHEMBL11562093 | 0.71 | — | — | |
| SCHEMBL28137208 | 0.71 | — | — | |
| SCHEMBL457230 | 0.70 | — | — | |
| SCHEMBL28200997 | 0.68 | — | — | |
| SCHEMBL13835731 | 0.68 | CA2 (0.35) | — | |
| SCHEMBL28321592 | 0.67 | ERN1 (0.38) | — | |
| SCHEMBL15063872 | 0.65 | — | — |
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-4176184-A | CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS | BOEHRINGER INGELHEIM GMBH (DE) | 1979-11-27 | — | — | US | disclosed |