⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12124472 | 0.90 | — | — | |
| SCHEMBL21225681 | 0.88 | FKBP5 (0.36) | — | |
| SCHEMBL22975111 | 0.86 | FKBP5 (0.34) | — | |
| SCHEMBL23009557 | 0.86 | FKBP5 (0.34) | — | |
| SCHEMBL21225659 | 0.86 | FKBP5 (0.34) | — | |
| SCHEMBL23009678 | 0.86 | FKBP5 (0.34) | — | |
| SCHEMBL21225285 | 0.86 | FKBP5 (0.34) | — | |
| SCHEMBL23009556 | 0.86 | FKBP5 (0.34) | — | |
| SCHEMBL21225657 | 0.86 | FKBP5 (0.34) | — | |
| SCHEMBL2476689 | 0.86 | GRIN1 (0.31) | — |
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-2271346-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009120652-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-10-01 | — | — | WO | disclosed |