⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8613482 | 0.85 | RORC (0.30) | — | |
| SCHEMBL9271235 | 0.78 | RORC (0.37) | — | |
| SCHEMBL8616886 | 0.76 | RORC (0.37) | — | |
| SCHEMBL8612429 | 0.69 | RORC (0.31) | — | |
| SCHEMBL8617307 | 0.69 | — | — | |
| SCHEMBL8614890 | 0.69 | — | — | |
| SCHEMBL8615929 | 0.66 | — | — | |
| SCHEMBL8615716 | 0.62 | — | — | |
| SCHEMBL8618247 | 0.61 | CYP3A4 (0.32) | — | |
| SCHEMBL12694277 | 0.61 | NPC1 (0.38) | — |
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-5731335-A | NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS | ASTRA AKTIEBOLAG (SE) | 1998-03-24 | — | — | US | disclosed |
| US-5607956-A | TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE | ASTRA AKTIEBOLAG (SE) | 1997-03-04 | — | — | US | disclosed |