⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20967585 | 0.88 | — | — | |
| SCHEMBL13816156 | 0.76 | — | — | |
| SCHEMBL16892315 | 0.75 | — | — | |
| SCHEMBL13750170 | 0.72 | EPHX2 (0.34) | — | |
| SCHEMBL13750193 | 0.72 | — | — | |
| SCHEMBL21650493 | 0.60 | — | — | |
| SCHEMBL12192580 | 0.60 | CES2 (0.43) | — | |
| SCHEMBL24801154 | 0.58 | — | — | |
| SCHEMBL23692027 | 0.57 | ALDH1A1 (0.31) | — | |
| SCHEMBL18697967 | 0.57 | AKT1 (0.30) | — |
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-10205104-B2 | Polycyclic compound and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2019-02-12 | — | — | US | disclosed |
| US-20180033974-A1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-02-01 | — | — | US | disclosed |