⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18810116 | 0.86 | — | — | |
| SCHEMBL5278796 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL13588308 | 0.82 | — | — | |
| SCHEMBL9918164 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL12809010 | 0.75 | — | — | |
| SCHEMBL7132937 | 0.74 | — | — | |
| SCHEMBL44322 | 0.74 | — | — | |
| SCHEMBL18812423 | 0.74 | — | — | |
| SCHEMBL13966664 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL18680192 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2758462-B1 | STABILIZING OF ORGANIC MATERIAL WITH AMINO-TRIAZINE BASED MANNICH-COMPOUNDS | BOREALIS AG (AT) | 2018-03-07 | — | — | EP | disclosed |