⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22004297 | 0.83 | — | — | |
| SCHEMBL21287133 | 0.76 | — | — | |
| SCHEMBL21727649 | 0.73 | — | — | |
| SCHEMBL18994298 | 0.72 | — | — | |
| SCHEMBL20438930 | 0.71 | — | — | |
| SCHEMBL19102962 | 0.69 | — | — | |
| SCHEMBL18896555 | 0.69 | — | — | |
| SCHEMBL21211575 | 0.68 | — | — | |
| SCHEMBL24833886 | 0.67 | — | — | |
| SCHEMBL19901671 | 0.67 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230320198-A1 | COMPOUND AND APPLICATION THEREOF | GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) | 2023-10-05 | — | — | US | disclosed |
| EP-3208271-B1 | NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME | LG CHEMICAL LTD (KR) | 2021-07-21 | — | — | EP | disclosed |