⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8278970 | 1.00 | — | — | |
| SCHEMBL108811 | 1.00 | — | — | |
| SCHEMBL13815180 | 1.00 | — | — | |
| SCHEMBL18611854 | 1.00 | — | — | |
| SCHEMBL18611852 | 1.00 | — | — | |
| SCHEMBL1781828 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL16280857 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL1784045 | 0.80 | PTPN1 (0.42) | — | |
| SCHEMBL1783945 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL13811569 | 0.80 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9642889-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2017-05-09 | — | — | US | disclosed |
| US-20170066783-A1 | Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-03-09 | — | — | US | disclosed |
| US-20160220633-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2016-08-04 | — | — | US | disclosed |
| US-20150361132-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2015-12-17 | — | — | US | disclosed |
| US-9062092-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2015-06-23 | — | — | US | disclosed |
| US-20090312343-A1 | QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS | HENNEQUIN LAURENT FRANCOIS AND | 2009-12-17 | — | — | US | disclosed |
| US-7569577-B2 | Quinazoline derivatives as tyrosine kinase inhibitors | ASTRAZENECA AB (SE) | 2009-08-04 | — | — | US | disclosed |
| US-20070043009-A1 | Quinazoline derivatives as tyrosine kinase inhibitors | ASTRAZENECA AB (SE) | 2007-02-22 | — | — | US | disclosed |