⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11545793 | 0.94 | — | — | |
| SCHEMBL11545030 | 0.93 | — | — | |
| SCHEMBL11543925 | 0.93 | — | — | |
| SCHEMBL11558451 | 0.93 | — | — | |
| SCHEMBL11541623 | 0.93 | — | — | |
| SCHEMBL11555391 | 0.89 | — | — | |
| SCHEMBL11549990 | 0.88 | CNR2 (0.48) | — | |
| SCHEMBL11327082 | 0.84 | — | — | |
| SCHEMBL11706837 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL11545341 | 0.84 | — | — |
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-4172943-A | ANALGESICS, TRANQUILIZERS, SEDATIVES, ANTIGLAUCOMA AGENTS | ABBOTT LABORATORIES (US) | 1979-10-30 | — | — | US | disclosed |