⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17795754 | 0.90 | — | — | |
| SCHEMBL17795603 | 0.87 | — | — | |
| SCHEMBL17792008 | 0.84 | CYP1A2 (0.37) | — | |
| SCHEMBL17791954 | 0.84 | CYP1A2 (0.37) | — | |
| SCHEMBL17304625 | 0.83 | — | — | |
| SCHEMBL18117612 | 0.79 | HSD11B1 (0.35) | — | |
| SCHEMBL17791965 | 0.78 | CYP1A2 (0.36) | — | |
| SCHEMBL17791978 | 0.78 | ERBB2 (0.31) | — | |
| SCHEMBL17791963 | 0.78 | AHR (0.31) | — | |
| SCHEMBL17792038 | 0.78 | ALDH1A1 (0.43) | — |
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-9793491-B2 | Compound and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-10-17 | — | — | US | disclosed |
| US-20160155952-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-06-02 | — | — | US | disclosed |