⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11934376 | 0.80 | — | — | |
| SCHEMBL11934386 | 0.80 | THRB (0.30) | — | |
| SCHEMBL15294467 | 0.76 | — | — | |
| SCHEMBL18725208 | 0.76 | — | — | |
| SCHEMBL8645098 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL14878799 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL11767646 | 0.73 | — | — | |
| SCHEMBL18650123 | 0.71 | — | — | |
| SCHEMBL2523246 | 0.71 | — | — | |
| SCHEMBL40105 | 0.69 | TSHR (0.33) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017172608-A1 | POLYFLUORENO[4,5-CDE]OXEPINE CONJUGATES AND THEIR USE IN METHODS OF ANALYTE DETECTION | AAT BIOQUEST, INC. (US) | 2017-10-05 | — | — | WO | disclosed |
| US-9067941-B2 | Fused heterocyclic azaindane carboxamide CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2015-06-30 | — | — | US | disclosed |
| US-20130267541-A1 | FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2013-10-10 | — | — | US | disclosed |
| US-20120231998-A1 | ORGANIC COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-09-13 | — | — | US | disclosed |
| US-8211932-B2 | Organic compounds and their uses | NOVARTIS AG (CH) | 2012-07-03 | — | — | US | disclosed |
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |
| US-20100331243-A1 | ORGANIC COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2010-12-30 | — | — | US | disclosed |
| US-7825152-B2 | serine protease inhibitors, for the treatment of hepatitis c virus infections | NOVARTIS AG (CH) | 2010-11-02 | — | — | US | disclosed |
| US-20100204119-A1 | 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES | PFIZER INC | 2010-08-12 | — | — | US | disclosed |
| US-20100204119-A1 | 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES | PFIZER INC | 2010-08-12 | — | — | US | disclosed |
| US-20100204159-A1 | ORGANIC COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2010-08-12 | — | — | US | disclosed |
| US-20080113966-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-05-15 | — | — | US | disclosed |