⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9913329 | 0.78 | — | — | |
| SCHEMBL7872197 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL8763473 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL539979 | 0.74 | — | — | |
| SCHEMBL8763158 | 0.72 | — | — | |
| SCHEMBL1394370 | 0.72 | — | — | |
| SCHEMBL15444723 | 0.72 | — | — | |
| SCHEMBL3783424 | 0.72 | — | — | |
| SCHEMBL11818887 | 0.72 | — | — | |
| SCHEMBL192803 | 0.72 | — | — |
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-20070100083-A1 | Polycarbonate or polyester having reactive silicon-containing group and organic-inorganic hybrid polymeric material from the same | ORIENT CHEMICAL INDUSTRIES, LTD. (JP) | 2007-05-03 | — | — | US | disclosed |