⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25539153 | 0.89 | MAPK1 (0.32) | — | |
| SCHEMBL23743271 | 0.88 | PDK2 (0.35) | — | |
| SCHEMBL25537419 | 0.84 | ENPP3 (0.32) | — | |
| SCHEMBL25537786 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL23743355 | 0.84 | KMT2A (0.33) | — | |
| SCHEMBL25536742 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL23743290 | 0.83 | KMT2A (0.32) | — | |
| SCHEMBL25539160 | 0.83 | KMT2A (0.32) | — | |
| SCHEMBL25537574 | 0.83 | MAPK1 (0.32) | — | |
| SCHEMBL25538936 | 0.82 | ENPP3 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210249607-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE | SAMSUNG SDI CO., LTD. (KR) | 2021-08-12 | — | — | US | disclosed |