⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1100258 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL6775991 | 0.67 | MAOA (0.41) | — | |
| SCHEMBL9864628 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL2151259 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL4785009 | 0.59 | MAOA (0.39) | — | |
| SCHEMBL945115 | 0.59 | RYR2 (0.31) | — | |
| SCHEMBL9720203 | 0.58 | — | — | |
| SCHEMBL23766 | 0.57 | — | — | |
| SCHEMBL29507678 | 0.57 | TSHR (0.44) | — | |
| SCHEMBL44447 | 0.57 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200031811-A1 | SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE | BASILEA PHARM INT AG (CH) | 2020-01-30 | — | — | US | disclosed |
| US-20180002321-A1 | SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE | Basilea Pharmaceutica International AG (CH) | 2018-01-04 | — | — | US | disclosed |
| EP-1973974-B1 | A PROCESS FOR PREPARING 'ONIUM SALTS | SUN CHEMICAL CORP (US) | 2014-04-30 | — | — | EP | disclosed |
| US-7863459-B2 | Process for preparing onium salts | SUN CHEMICAL CORPORATION (US) | 2011-01-04 | — | — | US | disclosed |
| US-20080287686-A1 | Process for Preparing Onium Salts | SUN CHEMICAL CORP (US) | 2008-11-20 | — | — | US | disclosed |
| US-7056933-B2 | Heterocyclo-alkylsulfonyl pyrazoles | PFIZER INC. (US) | 2006-06-06 | — | — | US | disclosed |
| US-20030149026-A1 | Heterocyclo-alkylsulfonyl pyrazoles | SAYKA SUBAS M (US) | 2003-08-07 | — | — | US | disclosed |
| EP-1312367-A1 | Heterocyclo-alkylsulfonyl pyrazolesa and their use as COX-2 inhibitors | Pfizer Products Inc. (US) | 2003-05-21 | — | — | EP | disclosed |
| WO-2003037351-A1 | HETEROCYCLO-ALKYLSULFONYL PYRAZOLES AND THEIR USE AS COX-2 INHIBITORS | PFIZER PRODUCTS INC. (US) | 2003-05-08 | — | — | WO | disclosed |