⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL339637 | 0.89 | — | — | |
| Methylamine SCHEMBL20474001 | 0.84 | — | — | |
| SCHEMBL717510 | 0.78 | — | — | |
| SCHEMBL8381802 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL5702106 | 0.77 | LMNA (0.33) | — | |
| Guanidine SCHEMBL8679620 | 0.76 | NOS3 (0.30) | — | |
| SCHEMBL373432 | 0.75 | — | — | |
| SCHEMBL5701459 | 0.75 | — | — | |
| SCHEMBL10005894 | 0.75 | — | — | |
| SCHEMBL3617414 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2514791-A1 | ANTHRAQUINONE PIGMENT, OCULAR LENS MATERIAL USING SAME, OCULAR LENS MATERIAL MANUFACTURING METHOD, AND OCULAR LENS | Menicon Co., Ltd. (JP) | 2012-10-24 | — | — | EP | disclosed |