⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21008119 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL20998723 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL9278865 | 0.61 | — | — | |
| SCHEMBL14312011 | 0.58 | — | — | |
| SCHEMBL9546334 | 0.58 | — | — | |
| SCHEMBL5641486 | 0.56 | — | — | |
| SCHEMBL9982728 | 0.55 | ALDH1A1 (0.30) | — | |
| SCHEMBL9143007 | 0.55 | — | — | |
| SCHEMBL21548748 | 0.54 | ALDH1A1 (0.36) | — | |
| SCHEMBL13189466 | 0.54 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3246428-A1 | METHOD FOR MANUFACTURING METAL CARBONITRIDE FILM OR METALLOID CARBONITRIDE FILM, METAL CARBONITRIDE FILM OR METALLOID CARBONITRIDE FILM, AND APPARATUS FOR MANUFACTURING METAL CARBONITRIDE FILM OR METALLOID CARBONITRIDE FILM | Ube Industries, Ltd. (JP) | 2017-11-22 | — | — | EP | disclosed |
| EP-2401277-A1 | SALT OF TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE AND CRYSTAL THEREOF | Eisai R&D Management Co., Ltd. (JP) | 2012-01-04 | — | — | EP | disclosed |
| EP-2324009-A1 | PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS | Eisai R&D Management Co., Ltd. (JP) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010098490-A1 | SALT OF TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE AND CRYSTAL THEREOF | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |
| WO-2010025197-A1 | PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-04 | — | — | WO | disclosed |