⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23319049 | 0.97 | — | — | |
| SCHEMBL23318647 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL25501319 | 0.91 | — | — | |
| SCHEMBL23318657 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL23318646 | 0.90 | ALOX5 (0.33) | — | |
| SCHEMBL23318902 | 0.89 | — | — | |
| SCHEMBL23318736 | 0.89 | ALDH1A1 (0.30) | — | |
| SCHEMBL25451940 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL25452315 | 0.88 | — | — | |
| SCHEMBL23319051 | 0.88 | AHR (0.31) | — |
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-20210130313-A1 | NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE | SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO. LTD. (CN) | 2021-05-06 | — | — | US | disclosed |
| WO-2021082504-A1 | NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2021-05-06 | — | — | WO | disclosed |