⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9973650 | 0.78 | — | — | |
| SCHEMBL5077811 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL599411 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL465319 | 0.71 | — | — | |
| Ethylene SCHEMBL20495562 | 0.69 | GRIK1 (0.31) | — | |
| SCHEMBL6055369 | 0.66 | TSHR (0.36) | — | |
| SCHEMBL9580842 | 0.66 | — | — | |
| SCHEMBL27633251 | 0.66 | TSHR (0.42) | — | |
| SCHEMBL8706604 | 0.65 | — | — | |
| SCHEMBL22685857 | 0.65 | GRIK1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6060200-A | COMPRISING SHEET OF CARRIER MATERIAL AND MUTABLE COLORED COMPOSITION ON AT LEAST A FIRST SURFACE OF THE SHEET, THE MUTABLE COLORED COMPOSITION COMPRISING A MUTABLE COLORANT, A MOLECULAR INCLUDANT AND AN ULTRAVIOLET RADIATION TRANSORBER | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2000-05-09 | — | — | US | disclosed |