⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8616899 | 0.78 | CNR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8618715 | 0.77 | CNR1 (0.33) | — | |
| SCHEMBL8613952 | 0.72 | ALOX5 (0.44) | — | |
| SCHEMBL10104487 | 0.70 | KDM4E (0.40) | — | |
| SCHEMBL8631369 | 0.70 | MAPK1 (0.34) | — | |
| SCHEMBL12262390 | 0.67 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL7402820 | 0.67 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL73299 | 0.66 | — | — | |
| SCHEMBL17976182 | 0.65 | ESR1 (0.34) | — | |
| SCHEMBL20201477 | 0.64 | SMN1; SMN2 (0.34) | — |
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 4 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 |
| EP-0707584-A1 | NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS | Astra Aktiebolag (SE) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001979-A1 | NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS | ASTRA AKTIEBOLAG (SE) | 1995-01-19 | — | — | WO | disclosed |