⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28601002 | 0.59 | — | — | |
| SCHEMBL17772052 | 0.53 | — | — | |
| SCHEMBL10893686 | 0.50 | — | — | |
| SCHEMBL15253056 | 0.50 | — | — | |
| SCHEMBL6718539 | 0.39 | — | — | |
| SCHEMBL11571461 | 0.37 | — | — | |
| SCHEMBL11423594 | 0.37 | — | — | |
| SCHEMBL13352657 | 0.36 | TTR (0.44) | — | |
| SCHEMBL7770211 | 0.35 | TTR (0.35) | — | |
| SCHEMBL823252 | 0.35 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4571435-A | SUSTAINED RELEASE | TENNESSEE VALLEY AUTHORITY (US) | 1986-02-18 | — | — | US | disclosed |
| US-4379939-A | Preparation of nitrogen fertilizers from oxalate esters prepared by the oxidative carbonylation of alcohols over noble metal catalysts utilizing regenerable 2,5-cyclohexadiene-1,4-dione oxidants | TENNESSEE VALLEY AUTHORITY (US) | 1983-04-12 | — | — | US | disclosed |