⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3279067 | 0.82 | L3MBTL3 (0.34) | — | |
| SCHEMBL3282803 | 0.81 | CYP2D6 (0.36) | — | |
| SCHEMBL3278345 | 0.81 | CYP2D6 (0.36) | — | |
| SCHEMBL6808324 | 0.80 | MCHR1 (0.34) | — | |
| SCHEMBL3279001 | 0.79 | PKM (0.33) | — | |
| SCHEMBL3285679 | 0.77 | L3MBTL3 (0.39) | — | |
| SCHEMBL3277827 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL3282738 | 0.72 | KRAS (0.34) | — | |
| SCHEMBL3278800 | 0.72 | CCR5 (0.34) | — | |
| SCHEMBL3278788 | 0.71 | SMN1; SMN2 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100152171-A1 | CGRP Antagonists | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2010-06-17 | — | — | US | disclosed |
| US-7700589-B2 | CGRP antagonists | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2010-04-20 | — | — | US | disclosed |
| US-20070244099-A1 | CGRP Antagonists | RUDOLF KLAUS | 2007-10-18 | — | — | US | disclosed |
| US-20040132716-A1 | CGRP antagonists | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-08 | — | — | US | disclosed |