⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11378457 | 1.00 | — | — | |
| SCHEMBL11379703 | 0.90 | — | — | |
| SCHEMBL11379705 | 0.90 | — | — | |
| SCHEMBL11378760 | 0.88 | TRPA1 (0.34) | — | |
| SCHEMBL11378765 | 0.88 | TRPA1 (0.34) | — | |
| SCHEMBL11372935 | 0.84 | RIPK1 (0.32) | — | |
| SCHEMBL11372932 | 0.84 | RIPK1 (0.32) | — | |
| SCHEMBL11382132 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL11377605 | 0.79 | GPR84 (0.34) | — | |
| SCHEMBL11377607 | 0.79 | GPR84 (0.34) | — |
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-4243674-A | HYPOTENSIVE AGENTS; ANALGESICS; ANTISECRETORY AGENTS; ANTIBODY INHIBITORS, AND TRANQUILIZERS | PFIZER INC. (US) | 1981-01-06 | — | — | US | disclosed |