⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1491225 | 1.00 | — | — | |
| SCHEMBL12064988 | 1.00 | — | — | |
| SCHEMBL24741443 | 0.90 | — | — | |
| SCHEMBL5184661 | 0.90 | — | — | |
| SCHEMBL18658857 | 0.90 | — | — | |
| SCHEMBL14908536 | 0.88 | — | — | |
| SCHEMBL10037574 | 0.78 | — | — | |
| SCHEMBL359800 | 0.69 | — | — | |
| SCHEMBL28042158 | 0.69 | — | — | |
| SCHEMBL25045822 | 0.65 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016194831-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2016-12-08 | — | — | WO | disclosed |
| WO-2016146738-A1 | BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-09-22 | — | — | WO | disclosed |
| EP-2442809-B1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2016-08-31 | — | — | EP | disclosed |
| US-9206175-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2015-12-08 | — | — | US | disclosed |
| US-20140088076-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-8623889-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2014-01-07 | — | — | US | disclosed |
| WO-2011111817-A1 | BENZAZEPINE COMPOUND | アステラス製薬株式会社 (JP) | 2011-09-15 | — | — | WO | disclosed |
| WO-2008118849-A2 | HIV-1 PROTEASE INHIBITORS | UNIVERSITY OF MASSACHUSETTS (US) | 2008-10-02 | — | — | WO | disclosed |
| EP-1432417-B1 | SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER | AVENTIS PHARMA SA (FR) | 2008-02-20 | — | — | EP | disclosed |