⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL812003 | 0.87 | — | — | |
| SCHEMBL7626929 | 0.78 | — | — | |
| SCHEMBL7633302 | 0.77 | — | — | |
| SCHEMBL28621939 | 0.76 | — | — | |
| SCHEMBL28463692 | 0.69 | — | — | |
| SCHEMBL6047082 | 0.68 | — | — | |
| SCHEMBL28454826 | 0.68 | — | — | |
| SCHEMBL28163729 | 0.65 | — | — | |
| SCHEMBL21175575 | 0.65 | — | — | |
| SCHEMBL7712150 | 0.65 | — | — |
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-6313316-B1 | 2,5-BIS(ISOCYANATOALKYLTHIOALKYL)-1,4-DITHIAN DERIVATIVES; HIGH REFRACTIVE INDEX; HEAT RESISTANCE, RADIATION TRANSPARENT; OPTICAL FILTERS AND FIBERS; EYEGLASSES | HOYA CORPORATION (JP) | 2001-11-06 | — | — | US | disclosed |