⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7327063 | 0.70 | — | — | |
| SCHEMBL381652 | 0.62 | — | — | |
| SCHEMBL359416 | 0.62 | — | — | |
| SCHEMBL4774286 | 0.61 | — | — | |
| SCHEMBL4204154 | 0.61 | — | — | |
| SCHEMBL14367461 | 0.61 | — | — | |
| SCHEMBL13292019 | 0.58 | — | — | |
| SCHEMBL9677469 | 0.58 | — | — | |
| SCHEMBL21628082 | 0.58 | — | — | |
| SCHEMBL9131486 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134342-A2 | MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-12-23 | — | — | EP | claimed |
| WO-2008112159-A2 | MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-09-18 | — | — | WO | claimed |