⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4058095 | 0.87 | — | — | |
| SCHEMBL28204130 | 0.87 | — | — | |
| SCHEMBL3408567 | 0.87 | — | — | |
| SCHEMBL10779165 | 0.87 | — | — | |
| SCHEMBL4307117 | 0.75 | — | — | |
| SCHEMBL7788374 | 0.75 | — | — | |
| SCHEMBL8137211 | 0.75 | — | — | |
| SCHEMBL3287243 | 0.75 | — | — | |
| SCHEMBL8799207 | 0.75 | — | — | |
| SCHEMBL3963314 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190023566-A1 | METHOD FOR RELEASING HYDOGEN, USE THEREOF AND VEHICLE FOR SAME | WEBER HANSPETER (BE) | 2019-01-24 | — | — | US | disclosed |
| US-20110263623-A1 | PROCESS FOR PREPARATION OF BOSENTAN | CADILA HEALTHCARE LIMITED (IN) | 2011-10-27 | — | — | US | disclosed |
| EP-2331513-A1 | PROCESS FOR PREPARATION OF BOSENTAN | Cadila Healthcare Limited (IN) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010032261-A1 | PROCESS FOR PREPARATION OF BOSENTAN | CADILA HEALTHCARE LIMITED (IN) | 2010-03-25 | — | — | WO | disclosed |
| EP-0162672-B1 | TRICYCLO (2.2.1.0 2,6)HEPTANE DERIVATIVES, PROCESS FOR PREPARING THEM, AND PERFUME COMPOSITIONS CONTAINING THEM | NIPPON OIL CO. LTD. (JP) | 1987-11-19 | — | — | EP | disclosed |