⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5743736 | 0.71 | — | — | |
| SCHEMBL1802268 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL9926628 | 0.71 | — | — | |
| SCHEMBL890997 | 0.69 | — | — | |
| SCHEMBL714832 | 0.67 | TDP1 (0.38) | — | |
| SCHEMBL18140323 | 0.65 | — | — | |
| SCHEMBL8044195 | 0.65 | — | — | |
| SCHEMBL1800028 | 0.65 | — | — | |
| SCHEMBL5211514 | 0.65 | — | — | |
| SCHEMBL6771053 | 0.65 | TMEM97 (0.31) | — |
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-6124424-A | A TRANSPARENT OPTICAL LENS IS OBTAINED BY CAST-POLYMERIZING AT LEAST ONE REACTIVE MONOMER OR OLIGOMER HAVING AT LEAST ONE SELENIUM ATOM IN ITS MOLECULE; IMPROVED REFRACTIVE INDEX | MITSUI CHEMICALS, INC. (JP) | 2000-09-26 | — | — | US | disclosed |