⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19595553 | 0.85 | HSP90AA1 (0.32) | — | |
| SCHEMBL19084300 | 0.80 | — | — | |
| SCHEMBL19055866 | 0.80 | ALOX5 (0.33) | — | |
| SCHEMBL18968991 | 0.80 | AHR (0.32) | — | |
| SCHEMBL19055867 | 0.78 | ALOX5 (0.33) | — | |
| SCHEMBL18969107 | 0.76 | AHR (0.30) | — | |
| SCHEMBL18969002 | 0.76 | MMP12 (0.31) | — | |
| SCHEMBL19084285 | 0.75 | PDK2 (0.30) | — | |
| SCHEMBL18968971 | 0.75 | MMP12 (0.31) | — | |
| SCHEMBL15839401 | 0.75 | — | — |
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-20170170402-A1 | AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-06-15 | — | — | US | disclosed |