⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8467725 | 0.85 | — | — | |
| SCHEMBL9938501 | 0.84 | — | — | |
| SCHEMBL373898 | 0.81 | — | — | |
| SCHEMBL691968 | 0.81 | — | — | |
| SCHEMBL373895 | 0.81 | — | — | |
| SCHEMBL7568882 | 0.79 | — | — | |
| SCHEMBL28897924 | 0.78 | — | — | |
| SCHEMBL7937610 | 0.78 | — | — | |
| SCHEMBL1801550 | 0.75 | CHRM1 (0.32) | — | |
| SCHEMBL9126385 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1378769-A2 | Water-absorptive contact lens and method of producing the same | Menicon Co., Ltd. (JP) | 2004-01-07 | — | — | EP | disclosed |