⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11867529 | 0.69 | — | — | |
| SCHEMBL11418002 | 0.65 | PTGS2 (0.33) | — | |
| SCHEMBL16223807 | 0.63 | — | — | |
| SCHEMBL7639225 | 0.62 | PTGS2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL4560486 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL2355480 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL2355569 | 0.62 | — | — | |
| SCHEMBL8519357 | 0.59 | SCD (0.37) | — | |
| SCHEMBL9239243 | 0.58 | ACHE (0.36) | — | |
| SCHEMBL32666031 | 0.55 | LIPG (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |