⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28064604 | 0.72 | CCR1 (0.48) | — | |
| SCHEMBL6363027 | 0.72 | — | — | |
| SCHEMBL22912663 | 0.72 | IDO1 (0.55) | — | |
| SCHEMBL29463643 | 0.72 | — | — | |
| SCHEMBL4614 | 0.72 | — | — | |
| SCHEMBL146758 | 0.70 | — | — | |
| SCHEMBL29806893 | 0.70 | — | — | |
| SCHEMBL11515982 | 0.70 | — | — | |
| SCHEMBL2213242 | 0.69 | — | — | |
| SCHEMBL179116 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105153193-B | A kind of organic electroluminescent LED material and its application | 中节能万润股份有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-105153193-A | Organic electroluminescent diode material and application thereof | VALIANT CO LTD | 2015-12-16 | — | — | CN | disclosed |