⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458834 | 0.71 | — | — | |
| SCHEMBL1133021 | 0.69 | — | — | |
| Iodide SCHEMBL15550171 | 0.69 | — | — | |
| SCHEMBL28561075 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL29013140 | 0.67 | — | — | |
| SCHEMBL18684605 | 0.65 | — | — | |
| SCHEMBL28659014 | 0.65 | — | — | |
| SCHEMBL31115771 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL21478038 | 0.64 | — | — | |
| SCHEMBL28306360 | 0.64 | GAA (0.41) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117343261-A | Preparation method of self-repairing fluorine-containing polyurethane urea emulsion | 陕西科技大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-103339141-A | C-28 amines of c-3 modified betulinic acid derivatives as hiv maturation inhibitors | BRISTOL MYERS SQUIBB CO | 2013-10-02 | — | — | CN | disclosed |
| US-8003649-B2 | Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 | ASTRAZENECA AB (SE) | 2011-08-23 | — | — | US | disclosed |
| EP-2235010-A1 | BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS | AstraZeneca AB (SE) | 2010-10-06 | — | — | EP | disclosed |
| US-20100016279-A1 | BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 | ASTRAZENECA AB (SE) | 2010-01-21 | — | — | US | disclosed |
| US-20090215761-A1 | QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF | CYLENE PHARMACEUTICALS, INC. (US) | 2009-08-27 | — | — | US | disclosed |
| EP-1874731-A4 | QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF | CYLENE PHARMACEUTICALS INC (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2009081197-A1 | BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS | ASTRAZENECA AB (SE) | 2009-07-02 | — | — | WO | disclosed |
| US-7402579-B2 | Quinobenzoxazine analogs and compositions | CYLENE PHARMACEUTICALS, INC. (US) | 2008-07-22 | — | — | US | disclosed |
| EP-1874731-A2 | QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF | Cylene Pharmaceuticals, Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| US-20060264634-A1 | Quinobenzoxazine analogs and methods of using thereof | CYLENE PHARMACEUTICALS, INC. | 2006-11-23 | — | — | US | disclosed |
| WO-2006113509-A2 | QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF | CYLENE PHARMACEUTICALS, INC. (US) | 2006-10-26 | — | — | WO | disclosed |