⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13897295 | 0.78 | — | — | |
| SCHEMBL15353762 | 0.76 | — | — | |
| SCHEMBL15883029 | 0.76 | — | — | |
| SCHEMBL17728694 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL14437368 | 0.73 | TSHR (0.44) | — | |
| SCHEMBL12196164 | 0.72 | — | — | |
| SCHEMBL13330238 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL28593754 | 0.69 | — | — | |
| SCHEMBL2492922 | 0.69 | — | — | |
| SCHEMBL19039345 | 0.68 | TSHR (0.46) | — |
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-20070187656-A1 | Photochromic compositions and articles comprising siloxane, alkylene or substituted alkylene oligomers | POLYMERS AUSTRALIA PTY LIMITED (AU) | 2007-08-16 | — | — | US | disclosed |