⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1413231 | 0.75 | — | — | |
| SCHEMBL10777713 | 0.73 | FAAH (0.54) | — | |
| SCHEMBL11286980 | 0.73 | FAAH (0.48) | — | |
| SCHEMBL838430 | 0.73 | — | — | |
| SCHEMBL1158065 | 0.73 | — | — | |
| SCHEMBL228965 | 0.71 | — | — | |
| SCHEMBL14168783 | 0.71 | FAAH (0.58) | — | |
| SCHEMBL10780606 | 0.71 | FAAH (0.58) | — | |
| SCHEMBL538257 | 0.71 | — | — | |
| SCHEMBL21958 | 0.69 | — | — |
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-8173655-B2 | Bicyclic anilide heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20100093759-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-04-15 | — | — | US | disclosed |