⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24166625 | 1.00 | — | — | |
| SCHEMBL8364748 | 1.00 | — | — | |
| SCHEMBL7592983 | 0.80 | — | — | |
| SCHEMBL20019988 | 0.79 | — | — | |
| SCHEMBL13283247 | 0.79 | — | — | |
| SCHEMBL3686456 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL3686453 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL21705177 | 0.78 | GRIK1 (0.33) | — | |
| SCHEMBL22661854 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL28141645 | 0.76 | TDP1 (0.36) | — |
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-5925768-A | ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS | SANOFI (FR) | 1999-07-20 | — | — | US | disclosed |