⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23344178 | 0.76 | — | — | |
| SCHEMBL19185388 | 0.65 | KCNMA1 (0.33) | — | |
| SCHEMBL21170635 | 0.63 | — | — | |
| SCHEMBL1861441 | 0.63 | — | — | |
| SCHEMBL4005301 | 0.61 | — | — | |
| SCHEMBL4006342 | 0.60 | — | — | |
| SCHEMBL15831290 | 0.60 | — | — | |
| SCHEMBL24656145 | 0.60 | — | — | |
| SCHEMBL19982751 | 0.60 | — | — | |
| SCHEMBL14076167 | 0.58 | — | — |
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-2767534-B1 | NEW BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IN WHICH SAID DERIVATIVE IS USED | HODOGAYA CHEMICAL CO LTD (JP) | 2020-06-03 | — | — | EP | disclosed |