⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10331237 | 0.92 | CHRNA1 (0.33) | — | |
| SCHEMBL17656819 | 0.91 | AKR1C3 (0.32) | — | |
| SCHEMBL17656818 | 0.91 | — | — | |
| SCHEMBL17656820 | 0.90 | CHRNA1 (0.32) | — | |
| SCHEMBL17656799 | 0.84 | PDK2 (0.33) | — | |
| SCHEMBL10331234 | 0.84 | CHRNA1 (0.31) | — | |
| SCHEMBL10331202 | 0.83 | — | — | |
| SCHEMBL10331227 | 0.83 | AKR1C3 (0.34) | — | |
| SCHEMBL21252564 | 0.82 | — | — | |
| SCHEMBL21252629 | 0.82 | ENPP3 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9653689-B2 | Condensed-cyclic compound and organic light-emitting diode including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-05-16 | — | — | US | disclosed |
| US-9653689-B2 | Condensed-cyclic compound and organic light-emitting diode including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-05-16 | — | — | US | disclosed |
| US-20160099411-A1 | CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME | SFC CO., LTD. (KR) | 2016-04-07 | — | — | US | disclosed |
| US-20160099411-A1 | CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME | SFC CO., LTD. (KR) | 2016-04-07 | — | — | US | disclosed |