⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9458281 | 0.98 | — | — | |
| SCHEMBL9458363 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL9458290 | 0.93 | — | — | |
| SCHEMBL591719 | 0.91 | — | — | |
| SCHEMBL2418813 | 0.77 | CHRM2 (0.31) | — | |
| Bromide SCHEMBL9458205 | 0.76 | CHRM2 (0.30) | — | |
| SCHEMBL592371 | 0.75 | GRIN2D (0.33) | — | |
| SCHEMBL7367619 | 0.74 | — | — | |
| SCHEMBL9139337 | 0.72 | CHRM2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL1058880 | 0.72 | GRIN2D (0.32) | — |
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-5244907-A | Treatment of serotonin imbalance, increase in gastric motility, antiemetics, antiarrhythmia agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-09-14 | — | — | US | disclosed |
| US-5190953-A | 1-azabicyclo(3.2.1.)octan-5-ylmethyl- or 1-azabicyclo(3.3.1) nonan-5-ylmethyl derivatives of carboxamides, thiocarboxamides or esters, thioesters | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-03-02 | — | — | US | disclosed |