⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7040068 | 0.86 | — | — | |
| SCHEMBL17703988 | 0.79 | MEN1 (0.30) | — | |
| SCHEMBL177144 | 0.78 | — | — | |
| SCHEMBL30175153 | 0.75 | — | — | |
| SCHEMBL30275413 | 0.75 | — | — | |
| SCHEMBL28465524 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL2241486 | 0.72 | — | — | |
| SCHEMBL30275414 | 0.72 | — | — | |
| SCHEMBL4374658 | 0.71 | — | — | |
| SCHEMBL30275418 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0869127-B1 | Bicyclic amidines and their use as catalysts | LONZA AG (CH) | 2001-10-10 | — | — | EP | claimed |
| EP-3406668-B1 | COMPOSITION, LAMINATE, PACKAGING MATERIAL, PACKAGING MATERIAL FOR BATTERY CASES, AND BATTERY | MITSUI CHEMICALS INC (JP) | 2022-08-17 | — | — | EP | disclosed |