⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11545139 | 0.72 | — | — | |
| SCHEMBL17339047 | 0.66 | NPSR1 (0.31) | — | |
| SCHEMBL3743518 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL8886206 | 0.62 | — | — | |
| SCHEMBL2505750 | 0.62 | — | — | |
| SCHEMBL19483162 | 0.62 | TDP1 (0.35) | — | |
| SCHEMBL19672545 | 0.62 | — | — | |
| SCHEMBL14851716 | 0.62 | — | — | |
| SCHEMBL28161414 | 0.62 | — | — | |
| SCHEMBL8523896 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220213035-A1 | ADDUCTS BETWEEN CARBON ALLOTROPES AND PYRROLE DERIVATIVES, ELASTOMER MIXTURES COMPRISING THEM AND TYRES COMPRISING SUCH MIXTURES | PIRELLI TYRE S.P.A. (IT) | 2022-07-07 | — | — | US | disclosed |
| CN-112074503-A | Adducts between pyrrole compounds and inorganic oxide hydroxides, superaddites between pyrrole compounds, inorganic oxide hydroxides and carbon allotropes, elastomeric compositions comprising said superaddites and process for preparing them | 倍耐力轮胎股份公司 | 2020-12-11 | — | — | CN | disclosed |
| US-20200223797-A1 | ADDUCTS FORMED FROM PRIMARY AMINES, DICARBONYL DERIVATIVES, INORGANIC OXIDE HYDROXYDES AND SP2-HYBRIDIZED CARBON ALLOTROPES | PIRELLI TYRE S.P.A. (IT) | 2020-07-16 | — | — | US | disclosed |
| CN-110139851-A | The adduct formed by the carbon allotrope of primary amine, Dicarbonyl derivatives, inorganic oxide hydroxide and SP2- hydridization | 倍耐力轮胎股份公司 | 2019-08-16 | — | — | CN | disclosed |