⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5417751 | 0.88 | SLC6A4 (0.32) | — | |
| SCHEMBL5414602 | 0.88 | KDM4E (0.31) | — | |
| SCHEMBL5419874 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL6338839 | 0.81 | CYP1A2 (0.32) | — | |
| SCHEMBL5430878 | 0.80 | — | — | |
| SCHEMBL5417654 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL6341181 | 0.74 | MAPK1 (0.36) | — | |
| SCHEMBL6336689 | 0.74 | TRPA1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6334027 | 0.74 | — | — | |
| SCHEMBL5411979 | 0.73 | MAOB (0.32) | — |
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-7262309-B2 | 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof | GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) | 2007-08-28 | — | — | US | claimed |
| EP-1492795-B1 | 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF | PLIVA ISTRAZIVACKI INST D O O (HR) | 2005-11-16 | — | — | EP | claimed |
| US-20050137249-A1 | 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof | PLIVA-ISTRAZIVACKI INSTITUT D.D.D. (HR) | 2005-06-23 | — | — | US | claimed |
| US-20050130964-A1 | 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof | PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) | 2005-06-16 | — | — | US | claimed |
| US-7262309-B2 | 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof | GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) | 2007-08-28 | — | — | US | disclosed |
| EP-1492795-B1 | 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF | PLIVA ISTRAZIVACKI INST D O O (HR) | 2005-11-16 | — | — | EP | disclosed |
| US-20050137249-A1 | 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof | PLIVA-ISTRAZIVACKI INSTITUT D.D.D. (HR) | 2005-06-23 | — | — | US | disclosed |
| US-20050130964-A1 | 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof | PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) | 2005-06-16 | — | — | US | disclosed |