⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30533690 | 0.78 | — | — | |
| SCHEMBL8380589 | 0.76 | — | — | |
| SCHEMBL8380363 | 0.74 | — | — | |
| SCHEMBL28425299 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29110947 | 0.72 | — | — | |
| SCHEMBL17748940 | 0.69 | SLC6A2 (0.40) | — | |
| SCHEMBL7482380 | 0.65 | — | — | |
| SCHEMBL3064916 | 0.65 | — | — | |
| SCHEMBL1978765 | 0.65 | — | — | |
| SCHEMBL4060484 | 0.65 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2984055-A1 | PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS | Materia, Inc. (US) | 2016-02-17 | — | — | EP | disclosed |
| WO-2015126462-A1 | PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS | MATERIA, INC. (US) | 2015-08-27 | — | — | WO | disclosed |
| WO-2014169080-A1 | PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS | MATERIA, INC. (US) | 2014-10-16 | — | — | WO | disclosed |
| EP-2685986-A2 | GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | Genzyme Corporation (US) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012129084-A2 | GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | GENZYME CORPORATION (US) | 2012-09-27 | — | — | WO | disclosed |
| EP-2411363-A1 | SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS | Bayer Pharma AG (DE) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108608-A1 | SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-09-30 | — | — | WO | disclosed |
| EP-1366026-A2 | PYRIMIDINE COMPOUNDS AND THEIR USE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002024663-A2 | PYRIMIDINE COMPOUNDS AND THEIR USE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-03-28 | — | — | WO | disclosed |
| EP-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |