⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1730170 | 0.77 | — | — | |
| SCHEMBL4024375 | 0.77 | — | — | |
| SCHEMBL872419 | 0.74 | HDAC8 (0.33) | — | |
| SCHEMBL31178337 | 0.73 | — | — | |
| SCHEMBL28492128 | 0.73 | — | — | |
| SCHEMBL6887027 | 0.73 | — | — | |
| SCHEMBL17099274 | 0.73 | — | — | |
| SCHEMBL8270697 | 0.73 | — | — | |
| SCHEMBL12805217 | 0.73 | — | — | |
| SCHEMBL5119330 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016195459-A2 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2016-12-08 | — | — | WO | disclosed |
| US-5422345-A | Useful in diagnosing or treating herpes viral infections | TRIUMF (CA) | 1995-06-06 | — | — | US | disclosed |
| US-5248771-A | Diagnosis and treatment of brain disorders caused by herpes herpes virus | TRIUMF (CA) | 1993-09-28 | — | — | US | disclosed |