⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10034165 | 0.95 | ALK (0.31) | — | |
| SCHEMBL15906956 | 0.94 | ALK (0.30) | — | |
| SCHEMBL15906952 | 0.93 | ALK (0.30) | — | |
| SCHEMBL10034196 | 0.89 | — | — | |
| SCHEMBL15906922 | 0.87 | ERBB2 (0.35) | — | |
| SCHEMBL15906901 | 0.86 | ERBB2 (0.35) | — | |
| SCHEMBL15906951 | 0.86 | ERBB2 (0.35) | — | |
| SCHEMBL15907003 | 0.86 | ERBB2 (0.35) | — | |
| SCHEMBL15835099 | 0.85 | — | — | |
| SCHEMBL15906997 | 0.85 | ERBB2 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9741949-B2 | Amine-based compound and organic light emitting diode comprising the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-08-22 | — | — | US | disclosed |
| US-9741949-B2 | Amine-based compound and organic light emitting diode comprising the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-08-22 | — | — | US | disclosed |
| US-20140209878-A1 | AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-07-31 | — | — | US | disclosed |
| US-20140209878-A1 | AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-07-31 | — | — | US | disclosed |