⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8397478 | 1.00 | — | — | |
| SCHEMBL8397477 | 1.00 | — | — | |
| SCHEMBL7787707 | 0.79 | CDK1 (0.30) | — | |
| SCHEMBL7784064 | 0.79 | CDK1 (0.30) | — | |
| SCHEMBL7779564 | 0.79 | CDK1 (0.30) | — | |
| SCHEMBL7786495 | 0.79 | CDK1 (0.30) | — | |
| SCHEMBL8395731 | 0.79 | CDK1 (0.30) | — | |
| SCHEMBL8314636 | 0.73 | HRH3 (0.30) | — | |
| SCHEMBL6705466 | 0.70 | — | — | |
| SCHEMBL18998463 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6008240-A | AN ANTAGONIST OF HISTAMINE H3 RECEPTORS; FOR TREATING ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE (HYPER OR HYPOTENSION), GASTROINTESTINAL DISORDERS, CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS | GLIATECH, INC. (US) | 1999-12-28 | — | — | US | disclosed |