⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5439764 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL11330333 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL905930 | 0.79 | TSHR (0.57) | — | |
| SCHEMBL30499789 | 0.79 | — | — | |
| SCHEMBL2137245 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL6959968 | 0.78 | — | — | |
| SCHEMBL356135 | 0.77 | — | — | |
| SCHEMBL4232985 | 0.77 | ADRA2A (0.42) | — | |
| SCHEMBL6991049 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL5501557 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12030868-B2 | Prodrugs of CGRP antagonists | PFIZER IRELAND PHARMACEUTICALS (IE) | 2024-07-09 | — | — | US | disclosed |
| US-20210395223-A1 | PRODRUGS OF CGRP ANTAGONISTS | PFIZER IRELAND PHARMACEUTICALS (IE) | 2021-12-23 | — | — | US | disclosed |
| EP-3863629-A1 | PRODRUGS OF CGRP ANTAGONISTS | Biohaven Pharmaceutical Holding Company Ltd. (US) | 2021-08-18 | — | — | EP | disclosed |