⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29507626 | 0.33 | — | — | |
| Ammonia Solution, Strong SCHEMBL27653210 | 0.33 | — | — | |
| SCHEMBL29612863 | 0.33 | — | — | |
| SCHEMBL6559802 | 0.33 | — | — | |
| Hydrogen Sulfide SCHEMBL15941638 | 0.33 | — | — | |
| Methane SCHEMBL27801618 | 0.33 | — | — | |
| SCHEMBL28180821 | 0.33 | — | — | |
| SCHEMBL29889134 | 0.33 | — | — | |
| SCHEMBL15109 | 0.30 | — | — | |
| SCHEMBL74539 | 0.24 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-56125390-A | — | — | None | — | — | JP | disclosed |
| US-7375222-B2 | 2,4,6-Triamino-1,3,5-triazine derivative | ASTELLAS PHARMA INC. (JP) | 2008-05-20 | — | — | US | disclosed |
| US-7375222-B2 | 2,4,6-Triamino-1,3,5-triazine derivative | ASTELLAS PHARMA INC. (JP) | 2008-05-20 | — | — | US | disclosed |
| WO-2007147222-A9 | NOVEL IONIC LIQUIDS | UNIV LEUVEN KATH (BE) | 2008-02-14 | — | — | WO | disclosed |
| WO-2007147222-A2 | NOVEL IONIC LIQUIDS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2007-12-27 | — | — | WO | disclosed |
| CN-86102877-A | The method for preparing bicyclic pyrazolidinones | — | 1986-10-29 | — | — | CN | disclosed |
| JP-S56125390-A | DIHYDROAZAOXAZOLE DERIVATIVE | KANEOKA YUICHI | 1981-10-01 | — | — | JP | disclosed |