⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8064344 | 0.72 | — | — | |
| SCHEMBL14981241 | 0.72 | — | — | |
| SCHEMBL12806378 | 0.70 | — | — | |
| SCHEMBL21650461 | 0.70 | — | — | |
| SCHEMBL13356322 | 0.70 | — | — | |
| SCHEMBL14159276 | 0.70 | — | — | |
| SCHEMBL12719973 | 0.70 | — | — | |
| SCHEMBL21539984 | 0.70 | — | — | |
| SCHEMBL11994637 | 0.70 | — | — | |
| SCHEMBL14549366 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3162797-A1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | Heesung Material Ltd. (KR) | 2017-05-03 | — | — | EP | disclosed |
| WO-2008155573-A1 | CINNOLINE COMPOUNDS FOR USE IN THE TREATMENT OF SCHIZOPHRENIA | ASTRAZENECA AB (SE) | 2008-12-24 | — | — | WO | disclosed |