⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10630 | 0.64 | — | — | |
| SCHEMBL8317236 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL1165251 | 0.62 | — | — | |
| SCHEMBL11783240 | 0.61 | — | — | |
| SCHEMBL12966319 | 0.59 | — | — | |
| SCHEMBL17032325 | 0.58 | — | — | |
| SCHEMBL18293029 | 0.57 | — | — | |
| SCHEMBL13798088 | 0.57 | — | — | |
| SCHEMBL15008794 | 0.56 | — | — | |
| SCHEMBL16233119 | 0.55 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2351750-B1 | 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AS CONSTITUENT | TOSOH CORP (JP) | 2014-03-12 | — | — | EP | disclosed |
| EP-2351750-A1 | 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT | Tosoh Corporation (JP) | 2011-08-03 | — | — | EP | disclosed |
| WO-2008021388-A1 | HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS | KEMIA, INC. (US) | 2008-02-21 | — | — | WO | disclosed |