⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7706746 | 0.86 | — | — | |
| SCHEMBL13640032 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL1030996 | 0.75 | CYP1A2 (0.37) | — | |
| SCHEMBL2250034 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL247607 | 0.71 | ARG1 (0.35) | — | |
| SCHEMBL89947 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6150114 | 0.70 | ARG1 (0.34) | — | |
| SCHEMBL27461329 | 0.68 | — | — | |
| SCHEMBL29346483 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL241078 | 0.66 | EPHX1 (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 7 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 | claimed |
| US-20070244099-A1 | CGRP Antagonists | RUDOLF KLAUS | 2007-10-18 | — | — | US | claimed |
| US-20040132716-A1 | CGRP antagonists | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-08 | — | — | US | claimed |
| 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 |