⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27680878 | 1.00 | — | — | |
| SCHEMBL7159657 | 0.89 | — | — | |
| SCHEMBL27473718 | 0.80 | — | — | |
| SCHEMBL29054941 | 0.80 | — | — | |
| Water SCHEMBL8674954 | 0.80 | — | — | |
| SCHEMBL82518 | 0.78 | — | — | |
| SCHEMBL43134 | 0.78 | — | — | |
| SCHEMBL27777048 | 0.78 | — | — | |
| SCHEMBL29961095 | 0.78 | — | — | |
| SCHEMBL8630625 | 0.73 | — | — |
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-7090722-B2 | Acid-reactive dental fillers, compositions, and methods | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2006-08-15 | — | — | US | disclosed |
| US-20050252415-A1 | Acid-reactive dental fillers, compositions, and methods | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY | 2005-11-17 | — | — | US | disclosed |