⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19161197 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL19161961 | 0.80 | TNKS (0.36) | — | |
| SCHEMBL21085654 | 0.74 | — | — | |
| SCHEMBL19161958 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL19161622 | 0.70 | TNKS (0.41) | — | |
| SCHEMBL24848693 | 0.70 | — | — | |
| SCHEMBL24104206 | 0.70 | — | — | |
| SCHEMBL19169565 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL19169920 | 0.70 | MAPT (0.39) | — | |
| SCHEMBL22211826 | 0.70 | — | — |
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-10347845-B2 | Nitrogen-containing condensed cyclic compound and organic light emitting device using same | LG CHEM, LTD. (KR) | 2019-07-09 | — | — | US | disclosed |
| US-20170213984-A1 | NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | LG CHEM, LTD. (KR) | 2017-07-27 | — | — | US | disclosed |