⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2552165 | 0.83 | — | — | |
| SCHEMBL13089447 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL30778293 | 0.80 | — | — | |
| SCHEMBL375462 | 0.78 | — | — | |
| SCHEMBL35210076 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL35210070 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL1692342 | 0.75 | — | — | |
| SCHEMBL37811 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL13089422 | 0.75 | — | — | |
| SCHEMBL28002326 | 0.74 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10633555-B2 | Isocyanatoalkyl alkoxysilane adducts modified by silicone resins and the use thereof | EVONIK OPERATIONS GMBH (DE) | 2020-04-28 | — | — | US | disclosed |
| US-10239898-B2 | Compounds based on adducts with isocyanates for coating compositions | EVONIK DEGUSSA GMBH (DE) | 2019-03-26 | — | — | US | disclosed |
| US-20190048224-A1 | Isocyanatoalkyl alkoxysilane adducts modified by silicone resins and the use thereof | EVONIK DEGUSSA GMBH (DE) | 2019-02-14 | — | — | US | disclosed |
| US-10100207-B2 | Adducts of isocyanatoalkyltrimethoxysilanes with flame retardants reactive therewith | EVONIK DEGUSSA GMBH (DE) | 2018-10-16 | — | — | US | disclosed |
| US-20180179234-A1 | COMPOUNDS BASED ON ADDUCTS WITH ISOCYANATES FOR COATING COMPOSITIONS | EVONIK OPERATIONS GMBH (DE) | 2018-06-28 | — | — | US | disclosed |
| US-20160297974-A1 | ADDUCTS OF ISOCYANATOALKYLTRIMETHOXYSILANES WITH FLAME RETARDANTS REACTIVE THEREWITH | EVONIK DEGUSSA GMBH (DE) | 2016-10-13 | — | — | US | disclosed |
| US-9266825-B2 | Copolymers of isocyanatoalkyltrialkoxysilanes and urethanediols | EVONIK DEGUSSA GMBH (DE) | 2016-02-23 | — | — | US | disclosed |
| US-20150225337-A1 | COPOLYMERS OF ISOCYANATOALKYLTRIALKOXYSILANES AND URETHANEDIOLS | EVONIK INDUSTRIES AG (DE) | 2015-08-13 | — | — | US | disclosed |