⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1275536 | 0.88 | — | — | |
| SCHEMBL1275776 | 0.79 | — | — | |
| SCHEMBL1276561 | 0.79 | — | — | |
| SCHEMBL4645973 | 0.78 | — | — | |
| SCHEMBL7637338 | 0.78 | — | — | |
| SCHEMBL12090408 | 0.76 | — | — | |
| SCHEMBL4647253 | 0.76 | — | — | |
| SCHEMBL19244089 | 0.76 | — | — | |
| SCHEMBL1402638 | 0.74 | — | — | |
| SCHEMBL4998480 | 0.74 | — | — |
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-6770734-B2 | POLYMERIZABLE TO MAKE POLYTHIOURETHANES; LENSES WITH A HIGH REFRACTIVE INDEX | MITSUI CHEMICALS, INC. (JP) | 2004-08-03 | — | — | US | disclosed |