⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3208258 | 0.76 | CHRNA3 (0.35) | — | |
| SCHEMBL7624703 | 0.71 | — | — | |
| SCHEMBL31364605 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL31364603 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL3207984 | 0.70 | GNAI3 (0.41) | — | |
| SCHEMBL7618439 | 0.69 | — | — | |
| SCHEMBL7620498 | 0.67 | EED (0.32) | — | |
| SCHEMBL5107404 | 0.66 | PDE10A (0.38) | — | |
| SCHEMBL17654953 | 0.66 | EPHX2 (0.33) | — | |
| SCHEMBL2888859 | 0.65 | HRH3 (0.41) | — |
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-6448282-B1 | H3 HISTAMINE RECEPTOR ANTAGONIST ACTIVITY; ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE, DEPRESSION, SCHIZOPHRENIA, NARCOLEPSY, SLEEP APNEA, INSOMNIA, EPILEPSY, HYPOTHALAMIC DYSFUNCTION | GLIATECH, INC. | 2002-09-10 | — | — | US | disclosed |
| US-6166060-A | 1H-4(5)-substituted imidazole derivatives | GLIATECH, INC. (US) | 2000-12-26 | — | — | US | disclosed |