⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL295441 | 0.81 | GAA (0.34) | — | |
| SCHEMBL14731170 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL1117618 | 0.72 | — | — | |
| SCHEMBL1117634 | 0.72 | — | — | |
| SCHEMBL21619625 | 0.72 | SLC6A4 (0.35) | — | |
| SCHEMBL23996260 | 0.70 | HSD17B10 (0.41) | — | |
| SCHEMBL19689040 | 0.70 | HSD17B10 (0.41) | — | |
| SCHEMBL9419612 | 0.70 | GAA (0.39) | — | |
| SCHEMBL1140660 | 0.68 | GAA (0.37) | — | |
| SCHEMBL5068630 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3476833-B1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-10-14 | — | — | EP | disclosed |
| EP-2394989-A1 | Method for producing a N-substituted aziridine | BASF SE (DE) | 2011-12-14 | — | — | EP | disclosed |
| EP-2275408-A1 | Method for synthesizing a n-substituted aziridine | BASF SE (DE) | 2011-01-19 | — | — | EP | disclosed |
| US-20100191000-A1 | METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE | BASF SE (DE) | 2010-07-29 | — | — | US | disclosed |
| EP-2160379-A1 | METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE | BASF SE (DE) | 2010-03-10 | — | — | EP | disclosed |
| WO-2008155355-A1 | METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE | BASF SE (DE) | 2008-12-24 | — | — | WO | disclosed |