⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24722584 | 0.89 | — | — | |
| SCHEMBL9392933 | 0.71 | — | — | |
| SCHEMBL13659887 | 0.71 | — | — | |
| SCHEMBL9392931 | 0.71 | — | — | |
| SCHEMBL16221433 | 0.71 | — | — | |
| SCHEMBL8083141 | 0.69 | — | — | |
| SCHEMBL6677608 | 0.69 | — | — | |
| SCHEMBL8083138 | 0.69 | — | — | |
| SCHEMBL27936926 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL29839 | 0.67 | — | — |
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-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-8507477-B2 | 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme, Corp. (US) | 2013-08-13 | — | — | US | disclosed |
| WO-2010107605-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-09-23 | — | — | WO | disclosed |
| WO-2010021919-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-02-25 | — | — | WO | disclosed |