⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4344325 | 0.72 | — | — | |
| SCHEMBL4346918 | 0.71 | KDM1A (0.32) | — | |
| SCHEMBL979115 | 0.71 | KDM1A (0.32) | — | |
| SCHEMBL1068636 | 0.66 | RIPK1 (0.34) | — | |
| SCHEMBL978138 | 0.66 | RIPK1 (0.34) | — | |
| SCHEMBL978376 | 0.65 | RIPK1 (0.36) | — | |
| SCHEMBL3266525 | 0.56 | — | — | |
| SCHEMBL549323 | 0.55 | GABRP (0.34) | — | |
| SCHEMBL549324 | 0.55 | GABRP (0.34) | — | |
| SCHEMBL16591307 | 0.55 | SLC6A3 (0.36) | — |
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-2029575-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-03-04 | — | — | EP | disclosed |
| WO-2008020902-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-02-21 | — | — | WO | disclosed |