⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20962289 | 0.86 | — | — | |
| SCHEMBL27354367 | 0.83 | ACHE (0.37) | — | |
| SCHEMBL12831961 | 0.79 | CYP3A4 (0.35) | — | |
| SCHEMBL21125143 | 0.79 | HDAC8 (0.39) | — | |
| SCHEMBL18540386 | 0.79 | NPC1 (0.32) | — | |
| SCHEMBL19120255 | 0.77 | MGLL (0.33) | — | |
| SCHEMBL20366981 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL21107549 | 0.76 | KMO (0.35) | — | |
| SCHEMBL18428330 | 0.76 | L3MBTL1 (0.38) | — | |
| SCHEMBL18371186 | 0.76 | RXRA (0.36) | — |
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-20170054095-A1 | ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG ELECTRONICS CO., LTD., (KR) | 2017-02-23 | — | — | US | disclosed |
| US-20170054095-A1 | ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG ELECTRONICS CO., LTD., (KR) | 2017-02-23 | — | — | US | disclosed |