⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2368743 | 0.77 | — | — | |
| SCHEMBL77241 | 0.74 | — | — | |
| SCHEMBL847848 | 0.73 | ALDH1A1 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL27732609 | 0.72 | — | — | |
| SCHEMBL27771447 | 0.72 | — | — | |
| SCHEMBL23630444 | 0.72 | — | — | |
| SCHEMBL27688223 | 0.72 | — | — | |
| Methyl Alcohol SCHEMBL28098311 | 0.72 | GAA (0.55) | — | |
| SCHEMBL17200952 | 0.72 | — | — | |
| SCHEMBL4881674 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5917062-A | Intermediates and methods useful in the semisynthesis of paclitaxel and analogs | INDENA S.P.A (IT) | 1999-06-29 | — | — | US | claimed |
| US-10000449-B2 | Bisarylsulfonamides useful in the treatment of inflammation and cancer | KANCERA AB (SE) | 2018-06-19 | — | — | US | disclosed |
| US-20160221938-A1 | BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER | KANCERA AB (SE) | 2016-08-04 | — | — | US | disclosed |
| EP-1648894-A1 | METHOD FOR THE PRODUCTION OF OH PROTECTED [4-(2.6-DIAMINO-9H-PURINE-9-YL)- 1.3-DIOXOLANE-2-YL]METHANOL DERIVATIVES | Wacker Chemie AG (DE) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005012302-A1 | METHOD FOR THE PRODUCTION OF OH PROTECTED [4-(2.6-DIAMINO-9H-PURINE-9-YL)- 1.3-DIOXOLANE-2-YL]METHANOL DERIVATIVES | WACKER CHEMIE AG (DE) | 2005-02-10 | — | — | WO | disclosed |
| US-5116956-A | POLYAZO DYE COMPOUNDS HAVING VINYLSULFONE TYPE AND PYRIDINIUM TYPE FIBER REACTIVE GROUPS | SUMITOMO CHEMICAL CO., LTD. (JP) | 1992-05-26 | — | — | US | disclosed |