⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9425908 | 0.78 | — | — | |
| SCHEMBL6294111 | 0.72 | — | — | |
| SCHEMBL3242490 | 0.71 | — | — | |
| SCHEMBL19601497 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL16506459 | 0.64 | — | — | |
| SCHEMBL11782159 | 0.64 | — | — | |
| SCHEMBL9813036 | 0.63 | TSHR (0.39) | — | |
| SCHEMBL44376 | 0.62 | — | — | |
| SCHEMBL25404780 | 0.60 | — | — | |
| SCHEMBL991741 | 0.60 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120122923-A1 | DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES | SANOFI-AVENTIS (FR) | 2012-05-17 | — | — | US | disclosed |
| EP-0497972-B1 | CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES | TROPIX INC (US) | 1998-12-23 | — | — | EP | disclosed |
| US-5831102-A | HEAT RESISTANCE; STABILITY | TROPIX, INC. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5763681-A | ALPHA-2-ADAMANTYLIDENE-ALPHA-METHOXY-META-METHOXYTOLUENE AND RELATED COMPOUNDS AS INTERMEDIATES | TROPIX, INC. (US) | 1998-06-09 | — | — | US | disclosed |
| US-5543295-A | ENZYMATICALLY CLEAVABLE; ANALYZING | TROPIX, INC. (US) | 1996-08-06 | — | — | US | disclosed |
| US-5362916-A | Synthesis of mercaptaryl or hydroxyaryl enol ether alkali metal salts | TROPIX, INC. (US) | 1994-11-08 | — | — | US | disclosed |
| US-5330900-A | Chemiluminescent 3-(substituted adamant-2'-ylidene) 1,2-dioxetanes | TROPIX, INC. (US) | 1994-07-19 | — | — | US | disclosed |
| US-5326882-A | High speed bioassay | TROPIX, INC. (US) | 1994-07-05 | — | — | US | disclosed |
| US-5225584-A | Phosphonate esters and trialkylsilyl phosphonate esters | TROPIX, INC. (US) | 1993-07-06 | — | — | US | disclosed |
| EP-0497972-A1 | CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES | TROPIX, INC. (US) | 1992-08-12 | — | — | EP | disclosed |
| EP-0441948-A4 | SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR | — | 1992-06-03 | — | — | EP | disclosed |
| US-5112960-A | Enzyme cleavable 1,2-dioxetane compound | APPLIED BIOSYSTEMS, LLC | 1992-05-12 | — | — | US | disclosed |
| WO-1992004341-A1 | CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES | TROPIX, INC. (US) | 1992-03-19 | — | — | WO | disclosed |
| EP-0441948-A1 | SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR | TROPIX, INC. (US) | 1991-08-21 | — | — | EP | disclosed |
| WO-1991003479-A1 | SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR | TROPIX, INC. (US) | 1991-03-21 | — | — | WO | disclosed |