⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14899968 | 0.94 | KDM1A (0.35) | — | |
| SCHEMBL27320258 | 0.85 | CHRM5 (0.39) | — | |
| SCHEMBL933476 | 0.83 | KDM1A (0.38) | — | |
| SCHEMBL19457103 | 0.83 | — | — | |
| SCHEMBL12632397 | 0.83 | — | — | |
| SCHEMBL23085581 | 0.80 | KDM1A (0.40) | — | |
| SCHEMBL28164961 | 0.80 | KDM1A (0.40) | — | |
| SCHEMBL5389995 | 0.78 | CHRM5 (0.33) | — | |
| SCHEMBL20418303 | 0.71 | KDM1A (0.33) | — | |
| SCHEMBL2499631 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2892936-A1 | SILANE FUNCTIONAL BINDER WITH THIOURETHANE STRUCTURE | Bayer Materialscience AG (DE) | 2015-07-15 | — | — | EP | disclosed |
| EP-2892905-A1 | ISOCYANATOSILANES WITH THIOURETHANE STRUCTURE | Bayer Materialscience AG (DE) | 2015-07-15 | — | — | EP | disclosed |
| EP-2890725-A1 | ISOCYANATE-FUNCTIONAL CYCLIC CARBONATES | Bayer Materialscience AG (DE) | 2015-07-08 | — | — | EP | disclosed |
| EP-2890690-A1 | BINDER WITH CYCLIC CARBONATE STRUCTURES | Bayer Materialscience AG (DE) | 2015-07-08 | — | — | EP | disclosed |
| WO-2014089287-A1 | EPOXIDE AND THIOEPOXIDE FUNCTIONAL, POLYMERIZABLE COMPOSITIONS AND METHODS OF PREPARING OPTICAL ARTICLES THEREFROM | PPG INDUSTIRES OHIO, INC. (US) | 2014-06-12 | — | — | WO | disclosed |
| WO-2014037279-A1 | ISOCYANATOSILANES WITH THIOURETHANE STRUCTURE | BAYER MATERIALSCIENCE AG (DE) | 2014-03-13 | — | — | WO | disclosed |
| WO-2014037265-A1 | SILANE FUNCTIONAL BINDER WITH THIOURETHANE STRUCTURE | BAYER MATERIALSCIENCE AG (DE) | 2014-03-13 | — | — | WO | disclosed |
| WO-2014033045-A1 | BINDER WITH CYCLIC CARBONATE STRUCTURES | BAYER MATERIALSCIENCE AG (DE) | 2014-03-06 | — | — | WO | disclosed |
| WO-2014033046-A1 | ISOCYANATE-FUNCTIONAL CYCLIC CARBONATES | BAYER MATERIALSCIENCE AG (DE) | 2014-03-06 | — | — | WO | disclosed |
| EP-1732924-A2 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS | TANABE SEIYAKU CO., LTD. (JP) | 2006-12-20 | — | — | EP | disclosed |
| EP-1730152-A2 | TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME | TANABE SEIYAKU CO., LTD. (JP) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095395-A2 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS | TANABE SEIYAKU CO., LTD. (JP) | 2005-10-13 | — | — | WO | disclosed |
| WO-2005095409-A2 | TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME | TANABE SEIYAKU CO., LTD. (JP) | 2005-10-13 | — | — | WO | disclosed |
| EP-1176962-A2 | LIPOSOME COMPOSITIONS FOR IMPROVED DRUG RETENTION | Alza Corporation (US) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000066126-A2 | LIPOSOME COMPOSITIONS FOR IMPROVED DRUG RETENTION | ALZA CORPORATION (US) | 2000-11-09 | — | — | WO | disclosed |