⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2391217 | 0.76 | — | — | |
| SCHEMBL19133635 | 0.72 | CYP3A4 (0.35) | — | |
| SCHEMBL1417311 | 0.70 | NFKB1 (0.33) | — | |
| SCHEMBL37541 | 0.69 | DNM1 (0.33) | — | |
| SCHEMBL448076 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28958687 | 0.67 | DNM1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL28883845 | 0.65 | DNM1 (0.33) | — | |
| SCHEMBL37890 | 0.65 | DNM1 (0.36) | — | |
| SCHEMBL28378589 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL8470276 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9050252-B2 | Method of surface treating inorganic oxide particles, hardenable dental compositions, surface treated particles, and surface treatment compounds | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2015-06-09 | — | — | US | disclosed |
| EP-2575739-A2 | METHOD OF SURFACE TREATING INORGANIC OXIDE PARTICLES, HARDENABLE DENTAL COMPOSITIONS, SURFACE TREATED PARTICLES, AND SURFACE TREATMENT COMPOUNDS | 3M Innovative Properties Company (US) | 2013-04-10 | — | — | EP | disclosed |
| US-20130059941-A1 | METHOD OF SURFACE TREATING INORGANIC OXIDE PARTICLES, HARDENABLE DENTAL COMPOSITIONS, SURFACE TREATED PARTICLES, AND SURFACE TREATMENT COMPOUNDS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2013-03-07 | — | — | US | disclosed |
| WO-2011149631-A2 | METHOD OF SURFACE TREATING INORGANIC OXIDE PARTICLES, HARDENABLE DENTAL COMPOSITIONS, SURFACE TREATED PARTICLES, AND SURFACE TREATMENT COMPOUNDS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2011-12-01 | — | — | WO | disclosed |
| US-20060004121-A1 | Polymer-brush modified fillers for composites | REGENTS OF THE UNIVERSITY OF COLORADO, THE | 2006-01-05 | — | — | US | disclosed |