⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14528628 | 0.80 | — | — | |
| SCHEMBL8227678 | 0.80 | — | — | |
| SCHEMBL28134166 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL272998 | 0.78 | OPRM1 (0.50) | — | |
| SCHEMBL13673860 | 0.76 | OPRM1 (0.41) | — | |
| SCHEMBL17336285 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL18125253 | 0.76 | TP53 (0.38) | — | |
| Hydrochloric Acid SCHEMBL1997517 | 0.75 | OPRM1 (0.48) | — | |
| Fluoride SCHEMBL1995827 | 0.75 | OPRM1 (0.48) | — | |
| Bromide SCHEMBL1993996 | 0.75 | OPRM1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2710994-A1 | DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL REPAIR MATERIAL, AND CURED PRODUCT | Mitsui Chemicals, Inc. (JP) | 2014-03-26 | — | — | EP | disclosed |
| EP-2711381-A1 | NOVEL COMPOUND, COMPOSITION CONTAINING SAID COMPOUND, AND CURED PRODUCT | Mitsui Chemicals, Inc. (JP) | 2014-03-26 | — | — | EP | disclosed |