⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11743814 | 0.90 | CNR1 (0.40) | — | |
| SCHEMBL11737464 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL11738672 | 0.90 | — | — | |
| Bromide SCHEMBL11731553 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL11772615 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL11742842 | 0.84 | — | — | |
| SCHEMBL11737259 | 0.84 | — | — | |
| SCHEMBL11808559 | 0.81 | CNR1 (0.43) | — | |
| SCHEMBL11739182 | 0.81 | — | — | |
| Bromide SCHEMBL11736990 | 0.80 | CNR1 (0.43) | — |
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-4049653-A | ANALGESICS, ANTIANXIETY AGENTS | ABBOTT LABORATORIES (US) | 1977-09-20 | — | — | US | disclosed |