⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2071122 | 0.82 | — | — | |
| SCHEMBL24697401 | 0.76 | MEN1 (0.35) | — | |
| SCHEMBL3426417 | 0.70 | — | — | |
| SCHEMBL26961212 | 0.70 | — | — | |
| SCHEMBL10211672 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL691436 | 0.69 | — | — | |
| Bromide SCHEMBL3738438 | 0.69 | — | — | |
| SCHEMBL18285616 | 0.68 | — | — | |
| SCHEMBL12254424 | 0.67 | — | — | |
| SCHEMBL18566768 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8372859-B2 | CGRP receptor antagonists with tertiary amide, sulfonamide, carbamate and urea end groups | Merck, Sharp & Dohme Corp. (US) | 2013-02-12 | — | — | US | disclosed |
| US-20100292263-A1 | CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMITE AND UREA GROUPS | MERCK SHARP & DOHME LLC | 2010-11-18 | — | — | US | disclosed |