⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4224904 | 0.74 | — | — | |
| SCHEMBL16736399 | 0.73 | — | — | |
| SCHEMBL9734254 | 0.71 | — | — | |
| SCHEMBL8173311 | 0.71 | — | — | |
| SCHEMBL193101 | 0.71 | — | — | |
| SCHEMBL4596261 | 0.71 | — | — | |
| SCHEMBL6327734 | 0.71 | — | — | |
| SCHEMBL1146009 | 0.71 | — | — | |
| SCHEMBL22247 | 0.69 | — | — | |
| SCHEMBL19970453 | 0.69 | ALDH1A1 (0.60) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150148480-A1 | OPTICAL MATERIAL AND ARTICLES FORMED THEREFROM | NIPPON SHOKUBAI CO., LTD. (JP) | 2015-05-28 | — | — | US | disclosed |
| WO-2013181600-A2 | OPTICAL MATERIAL AND ARTICLES FORMED THEREFROM | BIOFORMIX INC. (US) | 2013-12-05 | — | — | WO | disclosed |