⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10830318 | 0.81 | — | — | |
| SCHEMBL28750997 | 0.77 | — | — | |
| SCHEMBL796518 | 0.75 | — | — | |
| SCHEMBL31540877 | 0.74 | HSD11B1 (0.36) | — | |
| SCHEMBL21064210 | 0.73 | — | — | |
| SCHEMBL7445351 | 0.71 | — | — | |
| SCHEMBL18392176 | 0.71 | — | — | |
| SCHEMBL10833318 | 0.71 | CNR1 (0.33) | — | |
| SCHEMBL10815199 | 0.71 | GABRA1 (0.33) | — | |
| SCHEMBL9420465 | 0.71 | RECQL (0.38) | — |
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-4148907-A | ANALGESICS | ETABLISSEMENT VIRIDIS (LI) | 1979-04-10 | — | — | US | disclosed |