⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20824994 | 0.72 | — | — | |
| SCHEMBL29620 | 0.72 | — | — | |
| SCHEMBL873604 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL2702442 | 0.69 | — | — | |
| Water SCHEMBL27460201 | 0.69 | — | — | |
| SCHEMBL2332407 | 0.67 | — | — | |
| SCHEMBL6013871 | 0.65 | — | — | |
| SCHEMBL24245478 | 0.65 | — | — | |
| SCHEMBL22672903 | 0.65 | — | — | |
| SCHEMBL8821076 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11071693-B2 | Direct dental filling composition | DENTSPLY SIRONA INC. (US) | 2021-07-27 | — | — | US | disclosed |
| US-20190343730-A1 | DIRECT DENTAL FILLING COMPOSITION | DENTSPLY SIRONA INC. (US) | 2019-11-14 | — | — | US | disclosed |
| US-7683025-B2 | Synthesis and self-assembly of ABC triblock bola peptide amphiphiles | NORTHWESTERN UNIVERSITY (US) | 2010-03-23 | — | — | US | disclosed |