⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19913265 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL19908967 | 0.89 | ABCG2 (0.32) | — | |
| SCHEMBL19909162 | 0.88 | PDE3B (0.37) | — | |
| SCHEMBL19908970 | 0.86 | SQOR (0.36) | — | |
| SCHEMBL19903583 | 0.86 | CTSS (0.33) | — | |
| SCHEMBL21546645 | 0.85 | CYP1A2 (0.41) | — | |
| SCHEMBL19942772 | 0.84 | L3MBTL1 (0.41) | — | |
| SCHEMBL19913262 | 0.84 | SQOR (0.34) | — | |
| SCHEMBL20619455 | 0.84 | XDH (0.39) | — | |
| SCHEMBL19909160 | 0.84 | SQOR (0.35) | — |
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-11588114-B2 | Organic molecules for use in optoelectronic devices | SAMSUNG DISPLAY CO., LTD. (KR) | 2023-02-21 | — | — | US | disclosed |
| US-20200212316-A1 | ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-07-02 | — | — | US | disclosed |